UCSF

ZINC20899278

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 31 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) 4.49 6.64 -25.79 3 7 0 100 435.505 6
Hi High (pH 8-9.5) 4.49 6.7 -60.78 2 7 -1 102 434.497 6

Activity (Go SEA)

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