UCSF

ZINC37806167

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) -1.39 -1.28 -57.47 4 6 1 80 243.331 5
Mid Mid (pH 6-8) -1.39 0.85 -108.17 5 6 2 81 244.339 5

Activity (Go SEA)

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