UCSF

ZINC21368522

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2008 18 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) 2.26 7.13 -52.58 3 4 1 54 245.281 2
Mid Mid (pH 6-8) 2.26 5.69 -7.36 2 4 0 50 244.273 2

Activity (Go SEA)

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