UCSF

ZINC40943334

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.97 12.96 -13.54 1 4 0 51 459.409 6
Hi High (pH 8-9.5) 6.16 10.46 -44.83 0 4 -1 58 458.401 6

Activity (Go SEA)

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