UCSF

ZINC12419076

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 19 No

Other Names:

MFCD01460129

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) 3.27 7.76 -7.25 1 4 0 54 340.246 3
Lo Low (pH 4.5-6) 3.27 7.86 -30.76 2 4 1 55 341.254 4

Activity (Go SEA)

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