UCSF

ZINC57815344

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 20 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) 3.56 4.96 -11.68 3 4 0 64 332.201 2
Mid Mid (pH 6-8) 3.56 5.42 -24.26 4 4 1 65 333.209 2

Activity (Go SEA)

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