UCSF

ZINC38000590

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 1.66 5.68 -49.3 3 5 1 72 279.36 7
Mid Mid (pH 6-8) 1.66 4.49 -12.24 2 5 0 67 278.352 7

Activity (Go SEA)

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