UCSF

ZINC43814388

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 15 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) 1.50 5.59 -108.01 3 3 2 30 214.353 3
Hi High (pH 8-9.5) 1.50 2.96 -0.98 1 3 0 24 212.337 3
Hi High (pH 8-9.5) 1.50 3.7 -33.67 2 3 1 29 213.345 3
Mid Mid (pH 6-8) 1.50 4.7 -31.22 2 3 1 26 213.345 3

Activity (Go SEA)

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