UCSF

ZINC31934135

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 2.28 8.83 -12.75 0 5 0 60 291.31 2
Mid Mid (pH 6-8) 2.28 9.26 -31.65 1 5 1 61 292.318 2

Activity (Go SEA)

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