UCSF

ZINC53149727

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 4.33 8.68 -49.09 2 2 1 26 315.195 5
Mid Mid (pH 6-8) 4.33 7.3 -5.46 1 2 0 21 314.187 5

Activity (Go SEA)

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