UCSF

ZINC37004571

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 4.07 6.55 -51.6 4 3 1 57 307.483 4
Mid Mid (pH 6-8) 4.07 6.27 -5.74 3 3 0 55 306.475 4

Activity (Go SEA)

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