UCSF

ZINC37080197

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.55 9.56 -43.49 1 4 0 58 259.305 5
Hi High (pH 8-9.5) 2.55 7.15 -51.44 0 4 -1 57 258.297 5

Activity (Go SEA)

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