UCSF

ZINC03188712

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 28 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) 2.36 4.93 -48.58 0 6 -1 78 413.397 5
Mid Mid (pH 6-8) 2.36 4.84 -15.5 1 6 0 76 414.405 5

Activity (Go SEA)

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