UCSF

ZINC28761644

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 18 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) 3.40 5.05 -9.83 1 3 0 54 262.33 3
Mid Mid (pH 6-8) 3.40 5.23 -47.16 0 3 -1 57 261.322 3

Activity (Go SEA)

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