UCSF

ZINC43894848

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 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) 3.97 9.09 -110.75 3 2 2 21 254.462 6
Hi High (pH 8-9.5) 3.97 7.22 -34.51 2 2 1 20 253.454 6

Activity (Go SEA)

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