UCSF

ZINC19269317

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 18 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) 0.79 6.3 -57.34 1 5 0 65 256.346 6
Hi High (pH 8-9.5) 0.79 4.27 -42.68 0 5 -1 64 255.338 6

Activity (Go SEA)

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