UCSF

ZINC05267303

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 26 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) 1.25 8.66 -19.73 0 9 0 97 358.354 5
Mid Mid (pH 6-8) 1.25 9.14 -53.55 1 9 1 99 359.362 5

Activity (Go SEA)

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