UCSF

ZINC33869349

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 37 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) 3.63 11.95 -19.39 1 8 0 92 526.703 9
Hi High (pH 8-9.5) 3.44 10.8 -59.28 0 8 -1 98 525.695 9

Activity (Go SEA)

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