UCSF

ZINC52290559

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 13 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) 1.98 5.96 -4.83 1 3 0 38 177.251 3
Mid Mid (pH 6-8) 1.98 6.35 -28.54 2 3 1 39 178.259 3

Activity (Go SEA)

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