UCSF

ZINC21647477

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 22 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) 1.01 6.77 -38.43 2 6 1 68 321.426 4
Hi High (pH 8-9.5) 1.01 4.23 -10.42 1 6 0 67 320.418 4

Activity (Go SEA)

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