UCSF

ZINC43709030

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 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) 1.28 2.63 -58.64 4 5 1 75 273.312 2
Hi High (pH 8-9.5) 1.28 1.28 -13.75 3 5 0 71 272.304 2

Activity (Go SEA)

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