UCSF

ZINC12347817

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 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) 4.01 4.41 -48.03 1 8 -1 109 425.49 8
Lo Low (pH 4.5-6) 3.56 5.84 -13.78 2 8 0 106 426.498 8

Activity (Go SEA)

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