UCSF

ZINC43445410

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 2.02 5.9 -119.1 4 3 2 41 266.429 10
Hi High (pH 8-9.5) 2.02 4.52 -33.12 3 3 1 37 265.421 10
Mid Mid (pH 6-8) 2.02 4.46 -40.2 3 3 1 40 265.421 10

Activity (Go SEA)

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