UCSF

ZINC21652657

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 22 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) -0.33 3.63 -42.98 2 7 1 71 322.414 4
Mid Mid (pH 6-8) -0.33 3.5 -40.11 2 7 1 71 322.414 4
Mid Mid (pH 6-8) -0.33 1.16 -13.05 1 7 0 70 321.406 4

Activity (Go SEA)

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