UCSF

ZINC42821715

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) 0.82 4.39 -37.91 2 4 1 46 227.328 4
Hi High (pH 8-9.5) 0.82 3.13 -8.71 1 4 0 42 226.32 4

Activity (Go SEA)

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