UCSF

ZINC41720291

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 19 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 8.42 -78.83 3 3 2 31 259.397 5
Hi High (pH 8-9.5) 3.22 7.99 -43.64 2 3 1 29 258.389 5

Activity (Go SEA)

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