UCSF

ZINC02843301

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 18 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) 0.78 -6.96 -17.04 5 7 0 119 282.354 4
Lo Low (pH 4.5-6) 0.78 -6.57 -111.66 7 7 2 122 284.37 4
Lo Low (pH 4.5-6) 0.78 -6.73 -44.63 6 7 1 121 283.362 4

Activity (Go SEA)

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