UCSF

ZINC42390411

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 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) 1.95 5.13 -87.75 3 4 2 43 265.401 5
Mid Mid (pH 6-8) 1.95 4.79 -41.39 2 4 1 42 264.393 5
Mid Mid (pH 6-8) 1.95 5.18 -28.74 2 4 1 39 264.393 5

Activity (Go SEA)

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