UCSF

ZINC19718397

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 27 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) 4.72 10.58 -9.5 1 4 0 47 367.468 5
Mid Mid (pH 6-8) 4.72 11.05 -37.77 2 4 1 48 368.476 5
Mid Mid (pH 6-8) 4.72 11.13 -33.31 2 4 1 48 368.476 5

Activity (Go SEA)

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