UCSF

ZINC20982665

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 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) 0.72 5.32 -87.02 2 5 2 43 266.37 2
Hi High (pH 8-9.5) 0.72 2.95 -33.27 1 5 1 42 265.362 2
Mid Mid (pH 6-8) 0.72 4.82 -41.29 1 5 1 42 265.362 2
Mid Mid (pH 6-8) 0.72 2.56 -10.68 0 5 0 41 264.354 2

Activity (Go SEA)

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