UCSF

ZINC08441915

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 32 No

Popular Name: 6-amino-8-(2-methoxy-1-naphthyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile 6-amino-8-(2-methoxy-1-naphthyl)…

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Other Names:

MFCD02950199

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) 3.94 9.06 -7.97 2 6 0 110 423.52 4 ↓
Mid Mid (pH 6-8) 4.02 3.11 -109.39 3 6 2 110 425.536 4 ↓
Lo Low (pH 4.5-6) 3.94 8.89 -45.05 3 6 1 111 424.528 4 ↓

Activity (Go SEA)

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