UCSF

ZINC20358112

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 11 Yes

Other Names:

MFCD09991805

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) 2.15 6.18 -8.26 0 2 0 17 166.611 0
Lo Low (pH 4.5-6) 2.15 6.59 -27.63 1 2 1 19 167.619 0

Activity (Go SEA)

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