UCSF

ZINC33708845

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 32 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) 7.70 15.9 -12.12 0 4 0 44 440.568 6
Ref Reference (pH 7) 7.70 14.18 -11.67 0 4 0 44 440.568 6
Lo Low (pH 4.5-6) 7.70 14.66 -29.76 1 4 1 45 441.576 6
Lo Low (pH 4.5-6) 7.70 16.24 -27.92 1 4 1 45 441.576 6

Activity (Go SEA)

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