UCSF

ZINC34569008

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 25 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) 4.20 9.7 -12.37 0 5 0 49 329.359 3
Mid Mid (pH 6-8) 4.20 10.48 -30.2 1 5 1 50 330.367 3

Activity (Go SEA)

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