UCSF

ZINC45663031

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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) -1.94 -3.04 -49.87 5 6 1 95 218.277 7
Hi High (pH 8-9.5) -1.94 -3.42 -6.41 4 6 0 93 217.269 7
Hi High (pH 8-9.5) -1.75 -4.31 -53.31 4 6 0 101 217.269 7

Activity (Go SEA)

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