UCSF

ZINC34581135

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 13 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) 0.53 5.37 -42.18 2 4 1 46 179.247 1
Hi High (pH 8-9.5) 0.53 4.06 -6.07 1 4 0 41 178.239 1

Activity (Go SEA)

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