UCSF

ZINC20225236

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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) -0.75 -2.6 -50.89 4 5 1 67 240.327 5
Mid Mid (pH 6-8) -0.75 -0.19 -101.21 5 5 2 69 241.335 5

Activity (Go SEA)

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