UCSF

ZINC21983905

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 15 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) 1.60 5.89 -39.44 1 4 1 34 215.317 2
Mid Mid (pH 6-8) 1.60 3.59 -5.28 0 4 0 33 214.309 2

Activity (Go SEA)

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