UCSF

ZINC43638768

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 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) 1.72 4.29 -29.54 2 4 1 51 218.317 9
Mid Mid (pH 6-8) 1.72 2.19 -5.3 1 4 0 50 217.309 9

Activity (Go SEA)

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