UCSF

ZINC61744888

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.99 6.11 -37.07 1 5 1 37 292.403 5
Hi High (pH 8-9.5) 0.99 3.72 -8.54 0 5 0 36 291.395 5

Activity (Go SEA)

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