UCSF

ZINC37007725

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 1.37 3.4 -44.21 4 3 1 57 243.277 4
Hi High (pH 8-9.5) 1.37 3.07 -8.04 3 3 0 55 242.269 4

Activity (Go SEA)

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