UCSF

ZINC54394658

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 23 Yes

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) 1.96 8.29 -49.8 2 6 1 84 316.381 6
Hi High (pH 8-9.5) 1.96 6.22 -15.92 1 6 0 82 315.373 6
Hi High (pH 8-9.5) 1.78 7.44 -29.03 1 6 0 90 315.373 6

Activity (Go SEA)

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