UCSF

ZINC40844988

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 22 Yes

Other Names:

MFCD15144660

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) 3.18 6.82 -12.89 1 5 0 65 302.326 6
Hi High (pH 8-9.5) 3.18 6.29 -46.14 0 5 -1 68 301.318 6

Activity (Go SEA)

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

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