UCSF

ZINC10809534

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2007 20 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) 2.29 2.96 -10.86 0 5 0 57 270.288 5
Mid Mid (pH 6-8) 2.29 3.25 -32.17 1 5 1 58 271.296 5

Activity (Go SEA)

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