UCSF

ZINC34931630

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 38 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) 5.40 13.41 -57.09 0 7 -1 92 513.614 13
Lo Low (pH 4.5-6) 5.40 12.66 -13.28 1 7 0 89 514.622 13
Lo Low (pH 4.5-6) 5.40 13.12 -47.84 2 7 1 90 515.63 13

Activity (Go SEA)

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