UCSF

ZINC12218602

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 33 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) 2.79 -3.5 -21.21 1 8 0 89 442.523 4
Lo Low (pH 4.5-6) 2.79 -3.24 -44.09 2 8 1 90 443.531 4

Activity (Go SEA)

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