UCSF

ZINC21529246

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 26 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) 4.63 12.2 -48.45 2 4 1 46 370.542 5
Mid Mid (pH 6-8) 4.63 9.86 -15.27 1 4 0 45 369.534 5

Activity (Go SEA)

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