UCSF

ZINC34826178

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 15 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) 1.81 7.93 -107.69 0 4 -2 80 210.229 4
Lo Low (pH 4.5-6) 1.81 5.93 -49.24 1 4 -1 77 211.237 4
Lo Low (pH 4.5-6) 1.81 5.95 -56.96 1 4 -1 77 211.237 4

Activity (Go SEA)

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