UCSF

ZINC60255594

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 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) 1.94 2.94 -2.96 1 3 0 33 239.359 1
Mid Mid (pH 6-8) 1.94 4.52 -32.94 2 3 1 34 240.367 1

Activity (Go SEA)

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