UCSF

ZINC37015075

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 2.12 5.15 -50.08 4 3 1 57 271.331 5
Hi High (pH 8-9.5) 2.12 4.86 -8.44 3 3 0 55 270.323 5

Activity (Go SEA)

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