UCSF

ZINC14461727

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2008 35 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) 6.23 13.3 -92.25 2 5 0 54 494.725 7
Hi High (pH 8-9.5) 6.23 13.22 -10.16 1 5 0 53 493.717 7

Activity (Go SEA)

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