UCSF

ZINC21813290

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 3.40 8.54 -45.67 3 2 1 31 283.439 5
Lo Low (pH 4.5-6) 3.40 10.04 -131.39 4 2 2 32 284.447 5

Activity (Go SEA)

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