UCSF

ZINC35774883

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 27 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) 1.72 5.67 -12.21 1 6 0 66 372.513 6
Lo Low (pH 4.5-6) 1.72 8.2 -48.19 2 6 1 67 373.521 6
Lo Low (pH 4.5-6) 1.72 8.66 -97.21 3 6 2 68 374.529 6

Activity (Go SEA)

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