UCSF

ZINC61858179

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2011 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) 1.71 7.87 -109.04 3 3 2 29 262.397 4
Hi High (pH 8-9.5) 1.71 5.46 -36.02 2 3 1 28 261.389 4
Mid Mid (pH 6-8) 1.71 5.31 -34.09 2 3 1 28 261.389 4

Activity (Go SEA)

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