UCSF

ZINC70321527

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2011 19 Yes

Popular Name: 3-[(S)-amino(1-isoquinolyl)methyl]pyridin-2-amine 3-[(S)-amino(1-isoquinolyl)methy…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.79 3.76 -41.18 5 4 1 79 251.313 2 ↓
Mid Mid (pH 6-8) 1.79 3.69 -32.37 5 4 1 79 251.313 2 ↓
Mid Mid (pH 6-8) 1.79 3.3 -6.47 4 4 0 78 250.305 2 ↓
Lo Low (pH 4.5-6) 1.79 4.23 -103.66 6 4 2 81 252.321 2 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.