UCSF

ZINC41536257

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 0.29 4.75 -81.19 3 5 2 41 272.437 8
Hi High (pH 8-9.5) 0.29 2.48 -40.28 2 5 1 40 271.429 8
Mid Mid (pH 6-8) 0.29 4.76 -88.16 3 5 2 41 272.437 8

Activity (Go SEA)

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