UCSF

ZINC37016112

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 0.62 5.7 -43.69 4 3 1 57 273.381 4
Mid Mid (pH 6-8) 0.62 5.36 -7.62 3 3 0 55 272.373 4

Activity (Go SEA)

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