UCSF

ZINC34549944

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 22 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) 3.13 11.11 -40.93 1 4 1 45 293.346 6
Mid Mid (pH 6-8) 3.13 10.59 -12.44 0 4 0 44 292.338 6

Activity (Go SEA)

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