UCSF

ZINC59638991

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 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) 4.58 9.27 -37.82 3 1 1 28 258.344 1
Mid Mid (pH 6-8) 4.58 8.94 -4.97 2 1 0 26 257.336 1

Activity (Go SEA)

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