UCSF

ZINC42456817

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 12 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) 1.47 5.01 -106.58 4 2 2 32 174.332 6
Hi High (pH 8-9.5) 1.47 4.69 -33.17 3 2 1 30 173.324 6
Mid Mid (pH 6-8) 1.47 2.68 -39.44 3 2 1 31 173.324 6

Activity (Go SEA)

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