UCSF

ZINC61953929

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2011 28 No

Other Names:

MFCD02144171

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) 2.88 7.89 -12.18 1 6 0 71 397.5 6
Lo Low (pH 4.5-6) -0.78 8.74 -35.5 2 6 1 70 398.508 7

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.