UCSF

ZINC37338381

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 0.93 2.65 -6.22 0 3 0 30 185.267 3
Mid Mid (pH 6-8) 0.93 5.06 -33.69 1 3 1 31 186.275 3

Activity (Go SEA)

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