UCSF

ZINC04970479

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 21 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) 2.25 3.68 -15.78 1 6 0 78 308.359 5
Hi High (pH 8-9.5) 2.25 3.76 -51.98 0 6 -1 80 307.351 5
Lo Low (pH 4.5-6) 2.25 4.1 -33.57 2 6 1 79 309.367 5

Activity (Go SEA)

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