UCSF

ZINC20478225

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 26 No

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) 4.36 7.16 -9.76 0 5 0 47 414.303 3
Lo Low (pH 4.5-6) 4.36 9.17 -44.6 1 5 1 48 415.311 3
Lo Low (pH 4.5-6) 4.36 9.48 -43.09 1 5 1 48 415.311 3

Activity (Go SEA)

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