UCSF

ZINC31960142

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 0.18 1.93 -52.1 2 8 -1 107 335.384 9
Mid Mid (pH 6-8) 0.18 4.73 -120.92 4 8 1 109 337.4 9
Mid Mid (pH 6-8) 0.18 2.4 -70.99 3 8 0 108 336.392 9
Mid Mid (pH 6-8) 0.18 4.27 -80.42 3 8 0 108 336.392 9
Lo Low (pH 4.5-6) 0.18 3.61 -102.91 5 8 2 106 338.408 9

Activity (Go SEA)

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