UCSF

ZINC43388591

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 3.39 8.2 -50.49 2 2 1 26 272.771 8
Hi High (pH 8-9.5) 3.39 6.84 -5.18 1 2 0 21 271.763 8

Activity (Go SEA)

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