UCSF

ZINC20451864

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 29 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) 1.99 5.02 -46.47 2 7 1 72 401.531 10
Mid Mid (pH 6-8) 1.99 5.08 -45.97 2 7 1 72 401.531 10
Mid Mid (pH 6-8) 1.99 2.7 -9.17 1 7 0 71 400.523 10

Activity (Go SEA)

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