UCSF

ZINC36750296

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 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) 1.47 6.04 -53.17 2 4 1 59 249.334 7
Mid Mid (pH 6-8) 1.47 4.82 -10.04 1 4 0 54 248.326 7

Activity (Go SEA)

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