UCSF

ZINC29132906

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 23 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) 2.64 3.32 -20.94 3 6 0 95 332.381 5
Mid Mid (pH 6-8) 2.64 3.36 -60.23 2 6 -1 98 331.373 5

Activity (Go SEA)

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