UCSF

ZINC34595182

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 19 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) 0.80 0.41 -74.19 4 5 0 93 262.309 4
Hi High (pH 8-9.5) 0.80 -0.85 -44.38 3 5 -1 88 261.301 4

Activity (Go SEA)

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