UCSF

ZINC29835819

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2009 23 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) 1.69 3.2 -20.68 2 7 0 94 314.297 4
Mid Mid (pH 6-8) 2.15 1.45 -60.63 1 7 -1 97 313.289 4

Activity (Go SEA)

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