UCSF

ZINC42781324

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 2.36 5.64 -10.29 1 4 0 53 236.315 3
Hi High (pH 8-9.5) 2.36 4.65 -28.44 1 4 0 58 236.315 3
Mid Mid (pH 6-8) 2.36 6.65 -54.32 0 4 -1 56 235.307 3
Lo Low (pH 4.5-6) 2.36 3.87 -9.33 2 4 0 55 237.323 3

Activity (Go SEA)

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