UCSF

ZINC33698308

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 34 No

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) 2.96 10.76 -43.51 0 7 -1 92 457.506 7
Lo Low (pH 4.5-6) 2.96 9.63 -20.89 1 7 0 89 458.514 7
Lo Low (pH 4.5-6) 2.96 10.07 -52.9 2 7 1 90 459.522 7

Activity (Go SEA)

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