UCSF

ZINC37800488

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 2.28 5.05 -52.8 3 5 1 66 293.387 6
Mid Mid (pH 6-8) 2.28 4.94 -11.74 2 5 0 65 292.379 6

Activity (Go SEA)

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