UCSF

ZINC20322229

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.62 2.87 -47.58 2 8 1 81 401.487 7
Mid Mid (pH 6-8) 0.62 2.87 -46.4 2 8 1 81 401.487 7
Mid Mid (pH 6-8) 0.62 0.55 -10.01 1 8 0 80 400.479 7

Activity (Go SEA)

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