UCSF

ZINC45660266

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 1.14 3.62 -82.66 4 4 2 41 259.438 8
Hi High (pH 8-9.5) 1.14 1.47 -30.5 3 4 1 40 258.43 8

Activity (Go SEA)

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