UCSF

ZINC37105873

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 5.46 9.92 -46.98 2 2 1 26 369.71 5
Mid Mid (pH 6-8) 5.46 9.22 -5.56 1 2 0 21 368.702 5

Activity (Go SEA)

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