UCSF

ZINC48234255

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 26 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) 0.47 6.5 -46.21 1 8 1 86 379.462 6
Mid Mid (pH 6-8) 0.47 5.98 -17.29 0 8 0 85 378.454 6

Activity (Go SEA)

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