UCSF

ZINC41189961

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 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) 3.09 8.08 -34.85 2 2 1 29 273.425 3
Mid Mid (pH 6-8) 3.09 6.88 -5.46 1 2 0 25 272.417 3

Activity (Go SEA)

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