UCSF

ZINC41731023

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 18 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) -0.17 5.28 -44.26 4 4 1 61 245.35 1
Hi High (pH 8-9.5) -0.17 4.96 -5.72 3 4 0 60 244.342 1

Activity (Go SEA)

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