UCSF

ZINC20547729

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 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) 5.05 10.19 -57.32 2 1 1 17 335.176 5
Hi High (pH 8-9.5) 5.05 8.78 -5.21 1 1 0 12 334.168 5

Activity (Go SEA)

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