UCSF

ZINC12319727

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 27 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) 2.56 11.87 -90.52 2 5 2 42 374.573 7
Lo Low (pH 4.5-6) 2.56 12.15 -165.92 3 5 3 43 375.581 7

Activity (Go SEA)

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