UCSF

ZINC25735683

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 23 No

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) 4.76 9.6 -20.03 1 4 0 55 341.823 4
Hi High (pH 8-9.5) 4.94 8.52 -46.73 0 4 -1 61 340.815 4

Activity (Go SEA)

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