UCSF

ZINC12936302

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 23 Yes

Other Names:

MFCD01833142

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) 1.36 5.31 -15.41 2 5 0 71 327.409 5
Lo Low (pH 4.5-6) 1.36 5.58 -40.56 3 5 1 72 328.417 5

Activity (Go SEA)

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