UCSF

ZINC36776892

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 0.51 3.76 -13.45 1 4 0 53 242.278 3
Lo Low (pH 4.5-6) 0.51 4.22 -38.92 2 4 1 55 243.286 3

Activity (Go SEA)

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