UCSF

ZINC06093020

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 14 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) 0.52 2.9 -51.71 3 3 1 48 195.217 1
Hi High (pH 8-9.5) 0.52 2.6 -9.85 2 3 0 46 194.209 1

Activity (Go SEA)

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