UCSF

ZINC12574404

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 33 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) 7.03 14.14 -10.53 0 4 0 43 434.539 8
Lo Low (pH 4.5-6) 7.03 13.62 -39.62 1 4 1 45 435.547 8
Lo Low (pH 4.5-6) 7.03 12.67 -40.91 1 4 1 45 435.547 8
Lo Low (pH 4.5-6) 7.03 13.54 -39.61 1 4 1 45 435.547 8
Lo Low (pH 4.5-6) 7.03 14.49 -36.94 1 4 1 45 435.547 8

Activity (Go SEA)

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