UCSF

ZINC04243939

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 17 Yes

Other Names:

MFCD06740628

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) 1.93 7.92 -35.59 2 3 1 34 230.335 5
Mid Mid (pH 6-8) 1.93 8.39 -100.46 3 3 2 36 231.343 5

Activity (Go SEA)

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