UCSF

ZINC26512700

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 13 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) 0.79 1.19 -9.95 2 4 0 65 175.191 1
Lo Low (pH 4.5-6) 0.79 1.63 -40.72 3 4 1 66 176.199 1

Activity (Go SEA)

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