UCSF

ZINC06550353

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 23 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.97 10.99 -51.95 0 6 -1 84 317.365 9
Lo Low (pH 4.5-6) 2.97 11.27 -56.42 1 6 0 86 318.373 9

Activity (Go SEA)

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