UCSF

ZINC00320156

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 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) 3.98 0.68 -8.46 1 3 0 29 279.387 3
Mid Mid (pH 6-8) 3.98 0.86 -22.76 2 3 1 30 280.395 3

Activity (Go SEA)

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