UCSF

ZINC37082076

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) 1.67 8.11 -32.34 3 2 1 30 257.401 5
Hi High (pH 8-9.5) 1.67 6.41 -3.09 2 2 0 29 256.393 5
Mid Mid (pH 6-8) 1.67 8.51 -129.45 4 2 2 32 258.409 5
Mid Mid (pH 6-8) 1.67 6.44 -43.77 3 2 1 31 257.401 5

Activity (Go SEA)

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