UCSF

ZINC20128768

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.98 6.99 -37.59 2 3 1 29 248.394 6
Mid Mid (pH 6-8) 1.98 8.24 -114.49 3 3 2 34 249.402 6
Mid Mid (pH 6-8) 1.98 5.96 -45.85 2 3 1 33 248.394 6

Activity (Go SEA)

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