UCSF

ZINC39294377

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 24 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) 1.14 10.58 -67.29 0 5 -1 75 343.359 4
Mid Mid (pH 6-8) 1.14 9.76 -27.42 1 5 0 78 344.367 4

Activity (Go SEA)

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