UCSF

ZINC40162598

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2010 21 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) 0.22 7.5 -63.75 3 6 0 99 328.155 5
Mid Mid (pH 6-8) 0.22 6.99 -50.5 2 6 -1 98 327.147 5

Activity (Go SEA)

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