UCSF

ZINC21519957

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 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) 1.02 4.75 -50.4 1 5 1 59 283.373 3
Mid Mid (pH 6-8) 1.02 2.35 -14.15 0 5 0 58 282.365 3

Activity (Go SEA)

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