UCSF

ZINC44517168

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 1.61 7.6 -98.53 3 4 2 39 252.406 5
Hi High (pH 8-9.5) 1.61 6.53 -35.46 2 4 1 34 251.398 5

Activity (Go SEA)

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