UCSF

ZINC37201980

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 Yes

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) 3.59 7.17 -42.55 2 3 1 29 279.448 10
Mid Mid (pH 6-8) 3.59 8.15 -34.92 2 3 1 26 279.448 10
Mid Mid (pH 6-8) 3.59 9.32 -117.53 3 3 2 30 280.456 10

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Rings

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