UCSF

ZINC48822474

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 19 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) 0.74 5.96 -67.91 2 5 0 77 268.357 4
Mid Mid (pH 6-8) 0.74 4.67 -48.56 1 5 -1 72 267.349 4
Lo Low (pH 4.5-6) 0.74 3.98 -45.53 3 5 1 74 269.365 4

Activity (Go SEA)

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