UCSF

ZINC14071313

Substance Information

In ZINC since Heavy atoms Benign functionality
July 2nd, 2008 27 Yes

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) 3.28 10.96 -11.54 3 9 0 119 406.903 6
Hi High (pH 8-9.5) 3.28 10.61 -50.34 2 9 -1 117 405.895 6

Activity (Go SEA)

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