UCSF

ZINC16094781

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2008 21 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) 2.83 6.61 -11.97 1 4 0 70 298.367 3
Hi High (pH 8-9.5) 2.83 6.71 -50.42 0 4 -1 72 297.359 3

Activity (Go SEA)

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