UCSF

ZINC49026655

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 21 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) 1.54 6.97 -14.66 2 5 0 62 286.379 5
Mid Mid (pH 6-8) 1.54 7.31 -28.82 3 5 1 64 287.387 5

Activity (Go SEA)

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