UCSF

ZINC37079607

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 1.75 4 -42.46 3 2 1 31 225.381 5
Hi High (pH 8-9.5) 1.75 3.66 -1.5 2 2 0 29 224.373 5
Lo Low (pH 4.5-6) 1.75 5.76 -118.36 4 2 2 32 226.389 5

Activity (Go SEA)

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