UCSF

ZINC12249989

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2008 30 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) 6.10 -1.76 -8.36 3 4 0 68 415.562 4
Lo Low (pH 4.5-6) 6.10 -1.65 -28.69 4 4 1 69 416.57 4

Activity (Go SEA)

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