UCSF

ZINC43427647

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 No

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) -0.72 1.08 -8.12 1 6 0 82 237.259 2
Hi High (pH 8-9.5) -0.53 1.16 -41.84 0 6 -1 89 236.251 2

Activity (Go SEA)

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