UCSF

ZINC25425277

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 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) 5.00 12.04 -20.09 1 4 0 47 434.337 6
Mid Mid (pH 6-8) 5.00 12.45 -45.93 2 4 1 48 435.345 6

Activity (Go SEA)

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