UCSF

ZINC35141803

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 17 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) 1.16 5.1 -105.89 4 4 2 50 241.379 5
Hi High (pH 8-9.5) 1.16 3.92 -37.44 3 4 1 46 240.371 5
Mid Mid (pH 6-8) 1.16 2.9 -40.91 3 4 1 49 240.371 5

Activity (Go SEA)

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