UCSF

ZINC12371671

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 28 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) 3.29 7.69 -12.32 3 6 0 86 399.447 5
Lo Low (pH 4.5-6) 3.29 -2.11 -43.43 4 6 1 88 400.455 5

Activity (Go SEA)

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