UCSF

ZINC49335544

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 18 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) 0.85 5.71 -53.43 1 6 0 83 255.318 8
Hi High (pH 8-9.5) 0.85 3.77 -51.07 0 6 -1 82 254.31 8

Activity (Go SEA)

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