UCSF

ZINC33700722

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 36 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) 6.02 14.46 -38.94 0 6 -1 90 501.628 6
Lo Low (pH 4.5-6) 6.02 13.34 -19.23 1 6 0 88 502.636 6

Activity (Go SEA)

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