UCSF

ZINC18057614

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 25 No

Other Names:

MFCD02045372

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 10.33 -54.47 0 4 -1 60 352.797 5
Lo Low (pH 4.5-6) 3.70 9.04 -17.17 1 4 0 58 353.805 5

Activity (Go SEA)

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