UCSF

ZINC45073529

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 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) 3.43 9.24 -38.25 1 3 1 37 247.362 6
Hi High (pH 8-9.5) 3.43 7.68 -7.29 0 3 0 36 246.354 6

Activity (Go SEA)

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