UCSF

ZINC40443172

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 19 Yes

Other Names:

MFCD13152319

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) 3.70 10.31 -7.06 0 3 0 27 270.719 3
Lo Low (pH 4.5-6) 3.70 10.82 -34.24 1 3 1 28 271.727 3

Activity (Go SEA)

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

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