UCSF

ZINC45684341

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 2.30 3.32 -37.46 4 5 1 77 338.856 7
Hi High (pH 8-9.5) 2.30 1.06 -7.55 3 5 0 75 337.848 7

Activity (Go SEA)

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