UCSF

ZINC10059445

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2007 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) 2.25 5.53 -12.98 1 4 0 63 264.281 4
Hi High (pH 8-9.5) 2.70 3.54 -42.38 0 4 -1 66 263.273 4
Mid Mid (pH 6-8) 2.25 4.96 -19.3 1 4 0 63 264.281 4

Activity (Go SEA)

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