UCSF

ZINC00017828

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 24 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) 4.37 12.41 -39.26 1 2 1 17 339.89 0
Lo Low (pH 4.5-6) 4.37 12.59 -96.76 2 2 2 19 340.898 0

Activity (Go SEA)

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