UCSF

ZINC36617162

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 22 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) 2.96 6.83 -6.96 1 4 0 51 357.884 4
Hi High (pH 8-9.5) 2.96 7.74 -37.02 0 4 -1 54 356.876 4

Activity (Go SEA)

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