UCSF

ZINC36159826

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 32 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) 3.41 8.99 -58.54 3 7 1 93 458.604 9
Hi High (pH 8-9.5) 3.87 6.46 -57.51 2 7 0 96 457.596 9
Hi High (pH 8-9.5) 3.41 6.97 -18.96 2 7 0 92 457.596 9

Activity (Go SEA)

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