UCSF

ZINC34588610

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 19 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) 1.73 4.98 -100.88 1 6 -2 105 281.651 2
Mid Mid (pH 6-8) 1.73 5.97 -201.64 0 6 -3 108 280.643 2
Lo Low (pH 4.5-6) 1.73 3.88 -24.71 2 6 0 109 282.659 2

Activity (Go SEA)

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