UCSF

ZINC36996654

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 1.72 3.97 -35.15 3 4 1 49 272.372 2
Mid Mid (pH 6-8) 1.72 2.99 -6.79 2 4 0 44 271.364 2
Mid Mid (pH 6-8) 1.72 5.24 -32.6 3 4 1 46 272.372 2
Lo Low (pH 4.5-6) 1.72 6.26 -109.35 4 4 2 50 273.38 2

Activity (Go SEA)

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