UCSF

ZINC41674752

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 1.71 6.53 -94.64 3 5 2 51 275.437 11
Hi High (pH 8-9.5) 1.71 2.9 -3.57 1 5 0 45 273.421 11
Hi High (pH 8-9.5) 1.71 4.59 -37.12 2 5 1 46 274.429 11
Mid Mid (pH 6-8) 1.71 5.36 -40.43 2 5 1 46 274.429 11
Lo Low (pH 4.5-6) 1.71 7.06 -115.15 3 5 2 47 275.437 11

Activity (Go SEA)

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