UCSF

ZINC37818575

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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 1.6 -51.28 3 5 1 64 283.421 5
Mid Mid (pH 6-8) -0.82 3.82 -97.88 4 5 2 65 284.429 5

Activity (Go SEA)

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