UCSF

ZINC37001823

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.70 3 -48.57 1 6 -1 96 272.302 7
Hi High (pH 8-9.5) 0.70 3.07 -110.23 0 6 -2 98 271.294 7

Activity (Go SEA)

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