UCSF

ZINC31960994

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) -0.04 1.26 -53.53 5 6 1 91 279.364 7
Mid Mid (pH 6-8) -0.04 1.71 -90.69 6 6 2 92 280.372 7

Activity (Go SEA)

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