UCSF

ZINC34614012

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 17 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) 1.16 8.24 -46.93 0 3 -1 49 235.303 5
Lo Low (pH 4.5-6) 1.16 6.26 -6.66 1 3 0 47 236.311 5

Activity (Go SEA)

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