UCSF

ZINC37329030

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) -0.02 2.81 -10.73 0 5 0 50 254.33 3
Lo Low (pH 4.5-6) -0.02 4.89 -43.72 1 5 1 51 255.338 3

Activity (Go SEA)

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