UCSF

ZINC53127874

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 15 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) 1.05 0.98 -38.71 4 4 1 66 215.317 4
Hi High (pH 8-9.5) 1.05 -0.46 -6.32 3 4 0 61 214.309 4

Activity (Go SEA)

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