UCSF

ZINC31962312

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) -1.05 1.34 -56.66 4 7 1 93 292.363 3
Mid Mid (pH 6-8) -1.05 1.02 -21.06 3 7 0 92 291.355 3

Activity (Go SEA)

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