UCSF

ZINC23230424

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 33 No

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) -2.73 6.09 -32.15 3 10 1 115 455.539 8
Mid Mid (pH 6-8) -2.73 8.43 -85.09 4 10 2 116 456.547 8

Activity (Go SEA)

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