UCSF

ZINC19954002

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 19 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) 3.63 5.92 -39.52 2 3 1 29 269.453 5
Lo Low (pH 4.5-6) 3.63 8.26 -123.17 3 3 2 30 270.461 5

Activity (Go SEA)

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