UCSF

ZINC45629281

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 No

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) 2.53 3.62 -43.53 4 3 1 57 234.319 4
Hi High (pH 8-9.5) 2.53 4.52 -35.19 3 3 0 60 233.311 4

Activity (Go SEA)

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