UCSF

ZINC55104371

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 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) 4.20 9.95 -37.52 1 3 1 36 305.81 2
Mid Mid (pH 6-8) 4.20 9.53 -10.26 0 3 0 34 304.802 2

Activity (Go SEA)

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