UCSF

ZINC37039464

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.30 4.31 -118.89 4 5 2 62 245.367 5
Hi High (pH 8-9.5) 0.30 3.92 -37.38 3 5 1 60 244.359 5
Mid Mid (pH 6-8) 0.30 3.09 -50.58 3 5 1 60 244.359 5

Activity (Go SEA)

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