UCSF

ZINC37033303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 1.73 3.69 -61.85 4 6 1 87 288.375 2
Mid Mid (pH 6-8) 1.73 3.43 -10.61 3 6 0 86 287.367 2

Activity (Go SEA)

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