UCSF

ZINC11839149

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2008 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.12 -7.11 -17.3 0 8 0 94 442.57 4
Mid Mid (pH 6-8) 3.12 -6.94 -38.93 1 8 1 95 443.578 4
Lo Low (pH 4.5-6) 3.12 -6.85 -39.73 1 8 1 95 443.578 4
Lo Low (pH 4.5-6) 3.12 -6.68 -101.35 2 8 2 96 444.586 4

Activity (Go SEA)

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