UCSF

ZINC31992716

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 No

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) -2.50 -2.67 -15.62 2 6 0 98 232.261 1
Mid Mid (pH 6-8) -2.50 -2.35 -70.52 3 6 1 99 233.269 1

Activity (Go SEA)

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