UCSF

ZINC34717591

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 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) 2.37 3.34 -35.44 3 4 1 55 253.366 3
Hi High (pH 8-9.5) 2.37 2.14 -8.8 2 4 0 50 252.358 3

Activity (Go SEA)

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