UCSF

ZINC12231982

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 28 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) 1.96 4.3 -13.08 0 10 0 106 388.428 6
Mid Mid (pH 6-8) 1.96 4.46 -33.88 1 10 1 107 389.436 6

Activity (Go SEA)

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