UCSF

ZINC43411666

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.14 4.23 -35.81 3 4 1 49 258.43 8
Hi High (pH 8-9.5) 2.14 2.64 -7.65 2 4 0 44 257.422 8
Mid Mid (pH 6-8) 2.14 5.27 -30.36 3 4 1 46 258.43 8
Lo Low (pH 4.5-6) 2.14 6.35 -105.66 4 4 2 50 259.438 8

Activity (Go SEA)

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