UCSF

ZINC37839978

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -1.64 -1.19 -16.47 1 8 0 90 301.372 4
Mid Mid (pH 6-8) -1.64 0.99 -51.02 2 8 1 91 302.38 4

Activity (Go SEA)

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