UCSF

ZINC31560769

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 27 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) 4.59 12.31 -33.97 1 4 1 34 373.561 5
Mid Mid (pH 6-8) 4.59 12.38 -37.81 1 4 1 34 373.561 5
Lo Low (pH 4.5-6) 4.59 13.67 -109.04 2 4 2 35 374.569 5

Activity (Go SEA)

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