UCSF

ZINC60011412

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 11 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) 1.89 3.02 -31.78 2 2 1 26 158.265 0
Hi High (pH 8-9.5) 1.89 1.89 -2.03 1 2 0 21 157.257 0

Activity (Go SEA)

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