UCSF

ZINC25985910

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 26 No

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) 0.83 3.88 -43.72 5 7 1 105 353.402 2
Mid Mid (pH 6-8) 0.83 3.5 -13.29 4 7 0 103 352.394 2

Activity (Go SEA)

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