UCSF

ZINC37989663

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 14 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) -1.51 0.33 -52.95 2 6 1 76 199.234 4
Hi High (pH 8-9.5) -1.51 -1.03 -14.95 1 6 0 71 198.226 4

Activity (Go SEA)

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