UCSF

ZINC12536596

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 26 No

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) -0.38 7.63 -21.98 2 11 0 155 363.33 5
Lo Low (pH 4.5-6) -0.38 7.88 -43.42 3 11 1 156 364.338 5

Activity (Go SEA)

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