UCSF

ZINC37806155

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -0.25 1.4 -48.88 3 6 1 69 283.396 4
Mid Mid (pH 6-8) -0.25 3.54 -96.48 4 6 2 70 284.404 4

Activity (Go SEA)

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