UCSF

ZINC44460086

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2010 16 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) 0.12 3.09 -61.38 4 4 0 88 223.272 6
Hi High (pH 8-9.5) 0.12 2.83 -46.4 3 4 -1 86 222.264 6

Activity (Go SEA)

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