UCSF

ZINC21737153

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 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) 4.32 9.8 -15.65 1 7 0 89 426.571 5
Hi High (pH 8-9.5) 4.78 8.71 -46.99 0 7 -1 92 425.563 5

Activity (Go SEA)

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