UCSF

ZINC19923465

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 30 No

Other Names:

MFCD11503314

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) 0.61 1.88 -76.56 2 9 -1 133 416.406 10
Lo Low (pH 4.5-6) 0.61 0.92 -27.22 3 9 0 130 417.414 10

Activity (Go SEA)

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