UCSF

ZINC35497919

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 5.05 9.48 -37.81 2 1 1 17 298.884 3
Mid Mid (pH 6-8) 5.05 8.15 -3.56 1 1 0 12 297.876 3

Activity (Go SEA)

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