UCSF

ZINC34667476

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 33 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) 5.41 13.01 -15.54 1 4 0 42 446.566 8
Mid Mid (pH 6-8) 5.41 14.89 -43.63 2 4 1 43 447.574 8

Activity (Go SEA)

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