UCSF

ZINC44725328

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) 0.66 3.31 -101.21 5 5 2 78 297.424 5
Hi High (pH 8-9.5) 0.66 3 -42.83 4 5 1 77 296.416 5
Mid Mid (pH 6-8) 0.66 2.84 -66.53 4 5 1 80 296.416 5

Activity (Go SEA)

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