UCSF

ZINC36679485

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 14 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) 0.48 3.1 -44.44 3 3 1 50 195.286 6
Lo Low (pH 4.5-6) 0.48 3.45 -83.11 4 3 2 51 196.294 6

Activity (Go SEA)

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