UCSF

ZINC45703156

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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) 2.69 6.15 -37.31 1 3 1 21 290.884 8
Hi High (pH 8-9.5) 2.69 3.68 -4.69 0 3 0 19 289.876 8

Activity (Go SEA)

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