UCSF

ZINC34359922

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 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) -0.75 3.37 -16.38 2 7 0 99 286.309 5
Mid Mid (pH 6-8) -0.75 3.71 -58.21 3 7 1 101 287.317 5

Activity (Go SEA)

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