UCSF

ZINC39679567

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 22 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) 1.15 4.32 -61.08 3 6 -1 112 299.306 4
Lo Low (pH 4.5-6) 1.15 2.6 -27.47 4 6 0 109 300.314 4

Activity (Go SEA)

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