UCSF

ZINC30699397

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 31 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) 3.96 9.63 -14.87 1 5 0 51 414.505 5
Lo Low (pH 4.5-6) 3.96 11.55 -54.92 2 5 1 52 415.513 5

Activity (Go SEA)

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