UCSF

ZINC36678542

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 17 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) 2.34 6.05 -102.71 5 3 2 56 235.375 7
Mid Mid (pH 6-8) -0.57 6.21 -26.45 5 3 1 56 234.367 7

Activity (Go SEA)

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