UCSF

ZINC37049829

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.11 0.82 -47.33 4 5 1 70 295.403 6
Mid Mid (pH 6-8) 1.11 2.81 -92.07 5 5 2 71 296.411 6

Activity (Go SEA)

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