UCSF

ZINC31909954

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 25 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) 4.00 10.97 -40.03 2 4 1 34 335.475 5
Mid Mid (pH 6-8) 4.00 8.7 -11.1 1 4 0 33 334.467 5
Lo Low (pH 4.5-6) 4.00 11.39 -86.93 3 4 2 35 336.483 5

Activity (Go SEA)

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