UCSF

ZINC58641766

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2011 15 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) 1.66 2.18 -5.2 3 3 0 49 206.289 2
Mid Mid (pH 6-8) 1.66 2.95 -27.33 4 3 1 51 207.297 2

Activity (Go SEA)

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