UCSF

ZINC22921735

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 26 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) 1.27 9.49 -44.48 1 6 1 46 354.478 5
Hi High (pH 8-9.5) 1.27 6.97 -9.43 0 6 0 45 353.47 5
Lo Low (pH 4.5-6) 1.27 9.96 -93.68 2 6 2 47 355.486 5

Activity (Go SEA)

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