UCSF

ZINC38458342

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2010 21 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) 2.66 6.45 -15.25 1 5 0 64 282.347 4
Mid Mid (pH 6-8) 2.66 6.79 -44.69 2 5 1 65 283.355 4
Lo Low (pH 4.5-6) 2.66 7.21 -76.54 3 5 2 66 284.363 4

Activity (Go SEA)

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