UCSF

ZINC37818311

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -2.17 -6.01 -49.73 7 9 1 149 284.296 3
Hi High (pH 8-9.5) -2.17 -6.34 -17.31 6 9 0 148 283.288 3
Hi High (pH 8-9.5) -1.98 -9.01 -48.49 5 9 -1 154 282.28 3
Hi High (pH 8-9.5) -1.98 -8.66 -67.7 6 9 0 156 283.288 3

Activity (Go SEA)

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