UCSF

ZINC42450431

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) -0.01 1.08 -41.88 3 4 1 64 214.333 8
Mid Mid (pH 6-8) -0.01 4.08 -48.27 3 4 1 68 214.333 8
Mid Mid (pH 6-8) -0.01 3.56 -116.69 4 4 2 65 215.341 8
Mid Mid (pH 6-8) -0.01 1.63 -28.33 2 4 0 67 213.325 8

Activity (Go SEA)

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