UCSF

ZINC34612117

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 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) 4.32 10.79 -9.73 0 3 0 33 288.35 3
Lo Low (pH 4.5-6) 4.32 11.25 -39.67 1 3 1 34 289.358 3

Activity (Go SEA)

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