UCSF

ZINC42338086

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 10 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 1.28 -7.6 0 3 0 36 142.202 4
Mid Mid (pH 6-8) 0.44 3.62 -41.74 1 3 1 37 143.21 4

Activity (Go SEA)

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