UCSF

ZINC42579939

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 16 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) 3.13 5.62 -39.9 3 2 1 31 227.416 9
Hi High (pH 8-9.5) 3.12 7.58 -26.87 3 2 1 30 227.416 9
Mid Mid (pH 6-8) 3.13 7.82 -113.35 4 2 2 32 228.424 9

Activity (Go SEA)

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