UCSF

ZINC34977157

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 0.84 0.75 -44.22 2 5 1 59 225.316 3
Hi High (pH 8-9.5) 0.84 -0.6 -6.42 1 5 0 54 224.308 3

Activity (Go SEA)

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