UCSF

ZINC43478383

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) 2.63 0.97 -12.42 3 5 0 78 326.805 5
Hi High (pH 8-9.5) 2.63 1.73 -46.6 2 5 -1 81 325.797 5

Activity (Go SEA)

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