UCSF

ZINC34993957

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 No

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) 0.26 2.71 -68.89 2 6 1 90 288.345 5
Mid Mid (pH 6-8) 0.26 1.56 -17.4 1 6 0 86 287.337 5

Activity (Go SEA)

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