UCSF

ZINC05762966

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 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) -2.22 0.75 -23.76 4 10 0 136 376.417 6
Mid Mid (pH 6-8) -2.22 1.18 -51.53 5 10 1 138 377.425 6
Mid Mid (pH 6-8) -2.22 0.08 -51.52 5 10 1 138 377.425 6

Activity (Go SEA)

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