UCSF

ZINC34824323

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 19 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) 2.59 9.96 -89.37 3 3 2 24 263.429 5
Hi High (pH 8-9.5) 2.59 7.98 -37.1 2 3 1 23 262.421 5

Activity (Go SEA)

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