UCSF

ZINC12347989

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 4.57 -47.41 1 8 -1 109 425.49 9
Lo Low (pH 4.5-6) 3.56 5.99 -15.36 2 8 0 106 426.498 9

Activity (Go SEA)

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