UCSF

ZINC58233496

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 15 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) -0.43 2.88 -51.6 2 4 1 50 206.269 2
Hi High (pH 8-9.5) -0.43 1.42 -10.45 1 4 0 45 205.261 2

Activity (Go SEA)

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