UCSF

ZINC41672511

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 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) 0.98 3.59 -42.59 2 4 1 46 241.336 4
Hi High (pH 8-9.5) 0.98 2.24 -6.25 1 4 0 42 240.328 4

Activity (Go SEA)

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