UCSF

ZINC45688828

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 3.11 6.07 -40.9 4 4 1 55 293.46 6
Hi High (pH 8-9.5) 3.11 3.84 -7.57 3 4 0 54 292.452 6

Activity (Go SEA)

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