UCSF

ZINC34840671

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 18 Yes

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) -2.98 4.92 -103.1 3 8 -1 139 254.222 7
Mid Mid (pH 6-8) -2.98 4.36 -113.57 2 8 -2 138 253.214 7
Lo Low (pH 4.5-6) -2.98 2.94 -65.9 4 8 0 136 255.23 7

Activity (Go SEA)

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