UCSF

ZINC06715758

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 18 Yes

Other Names:

MFCD08072137

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) 2.85 8.22 -13.64 1 3 0 42 240.306 3
Lo Low (pH 4.5-6) 2.85 7.97 -29.94 2 3 1 43 241.314 3

Activity (Go SEA)

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