UCSF

ZINC24968204

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 20 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) 2.24 2.77 -17.62 2 5 0 79 333.196 3
Hi High (pH 8-9.5) 2.24 2.29 -37.38 1 5 -1 77 332.188 3

Activity (Go SEA)

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