UCSF

ZINC20479309

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) 2.31 8.43 -17.34 1 5 0 41 390.94 8
Lo Low (pH 4.5-6) 2.31 11.21 -113.34 3 5 2 43 392.956 8

Activity (Go SEA)

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