UCSF

ZINC36870906

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.56 6.14 -49.38 4 3 1 56 250.325 3
Mid Mid (pH 6-8) 2.56 5.74 -8.95 3 3 0 55 249.317 3

Activity (Go SEA)

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