UCSF

ZINC34558564

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 13 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) 3.91 7.64 -3.64 0 1 0 12 175.275 2
Lo Low (pH 4.5-6) 3.91 7.61 -32.42 1 1 1 14 176.283 2
Lo Low (pH 4.5-6) 3.91 7.82 -30.71 1 1 1 14 176.283 2

Activity (Go SEA)

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