UCSF

ZINC28468980

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 27 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) 3.99 11.03 -50.92 1 4 1 34 365.497 5
Mid Mid (pH 6-8) 3.99 8.65 -10.52 0 4 0 33 364.489 5

Activity (Go SEA)

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