UCSF

ZINC60634201

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2011 25 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) 2.81 8.34 -12.07 0 5 0 57 349.519 9
Mid Mid (pH 6-8) 2.81 10.61 -61.32 1 5 1 58 350.527 9

Activity (Go SEA)

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