UCSF

ZINC44514566

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 12 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) 0.04 1.27 -48.05 3 3 1 55 168.264 2
Lo Low (pH 4.5-6) 0.04 3.49 -106.96 4 3 2 56 169.272 2

Activity (Go SEA)

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