UCSF

ZINC23361170

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 29 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) 3.21 12.9 -89.22 2 4 2 25 394.607 7
Hi High (pH 8-9.5) 3.21 10.43 -35.88 1 4 1 24 393.599 7

Activity (Go SEA)

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