UCSF

ZINC28419361

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2009 28 Yes

Other Names:

MFCD15782694

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) 3.40 9.67 -19.38 1 7 0 82 435.962 7
Hi High (pH 8-9.5) 3.59 8.59 -48.32 0 7 -1 88 434.954 7

Activity (Go SEA)

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