UCSF

ZINC49455429

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 1.09 4.73 -41.14 3 6 0 93 273.292 2
Mid Mid (pH 6-8) 1.09 4.41 -50.61 2 6 -1 92 272.284 2

Activity (Go SEA)

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