UCSF

ZINC36746475

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 15 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) -0.92 -0.96 -48.67 5 5 1 86 216.305 6
Mid Mid (pH 6-8) -0.92 -1.27 -10.35 4 5 0 84 215.297 6

Activity (Go SEA)

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