UCSF

ZINC08701203

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 19 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) 2.21 6.82 -34.45 3 3 1 34 274.31 3
Mid Mid (pH 6-8) 2.21 4.61 -3.99 2 3 0 32 273.302 3

Activity (Go SEA)

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