UCSF

ZINC43388137

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 3.22 6.51 -43.05 2 2 1 29 255.313 4
Hi High (pH 8-9.5) 3.22 5.14 -3.36 1 2 0 25 254.305 4

Activity (Go SEA)

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