UCSF

ZINC21822269

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 26 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) 2.53 7.98 -56.98 2 5 1 58 351.426 4
Mid Mid (pH 6-8) 2.53 5.7 -11.68 1 5 0 57 350.418 4
Mid Mid (pH 6-8) 2.53 7.95 -50.18 2 5 1 58 351.426 4

Activity (Go SEA)

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