UCSF

ZINC42458517

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 0.44 2.97 -10.09 3 6 0 88 223.28 4
Mid Mid (pH 6-8) 0.44 3.4 -34.27 4 6 1 89 224.288 4

Activity (Go SEA)

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