UCSF

ZINC41206152

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 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) 0.51 5.46 -52.95 2 2 1 34 194.229 1
Hi High (pH 8-9.5) 0.51 4.18 -7.12 1 2 0 29 193.221 1

Activity (Go SEA)

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