UCSF

ZINC36657582

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 19 Yes

Other Names:

MFCD16631793

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) 3.26 7.48 -8.88 1 3 0 38 269.373 3
Lo Low (pH 4.5-6) 3.26 7.94 -41.12 2 3 1 39 270.381 3

Activity (Go SEA)

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