UCSF

ZINC14246431

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 34 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) 3.53 8.59 -49.19 2 8 1 89 490.646 10
Hi High (pH 8-9.5) 3.53 6.12 -18.26 1 8 0 88 489.638 10

Activity (Go SEA)

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