UCSF

ZINC19953388

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 3.59 8.95 -12.68 2 3 0 43 263.344 1
Mid Mid (pH 6-8) 3.59 9.35 -27.27 3 3 1 45 264.352 1

Activity (Go SEA)

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