UCSF

ZINC42434880

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 15 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) 0.30 0.25 -45.81 4 4 1 68 213.301 2
Hi High (pH 8-9.5) 0.30 -0.01 -6.85 3 4 0 67 212.293 2

Activity (Go SEA)

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