UCSF

ZINC21738835

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 33 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) 3.58 8.92 -14.73 1 10 0 125 486.579 9
Hi High (pH 8-9.5) 4.04 8.15 -37.09 0 10 -1 128 485.571 9

Activity (Go SEA)

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