UCSF

ZINC31960901

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 0.92 1.86 -57.23 6 6 1 102 315.397 8
Mid Mid (pH 6-8) 0.92 2.32 -98.84 7 6 2 103 316.405 8

Activity (Go SEA)

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