UCSF

ZINC42447366

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 2.16 5.29 -9.97 1 4 0 53 234.299 2
Hi High (pH 8-9.5) 2.16 4.31 -28.58 1 4 0 58 234.299 2
Mid Mid (pH 6-8) 2.16 6.3 -52.63 0 4 -1 56 233.291 2
Lo Low (pH 4.5-6) 2.16 3.54 -36.15 2 4 1 55 235.307 2

Activity (Go SEA)

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