UCSF

ZINC37825953

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.60 4.31 -46.55 2 6 1 66 284.38 6
Hi High (pH 8-9.5) 0.60 3.09 -11.91 1 6 0 62 283.372 6
Lo Low (pH 4.5-6) 0.60 6.44 -105.77 3 6 2 68 285.388 6

Activity (Go SEA)

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