UCSF

ZINC44995062

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.97 9.05 -31.76 2 2 1 16 267.481 5
Mid Mid (pH 6-8) 3.97 8.29 -35.11 2 2 1 20 267.481 5
Lo Low (pH 4.5-6) 3.97 10.22 -102.3 3 2 2 21 268.489 5

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

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