UCSF

ZINC41198159

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 1.59 4.83 -33.47 2 3 1 33 264.418 3
Hi High (pH 8-9.5) 1.59 6.19 -33.87 2 3 1 29 264.418 3
Mid Mid (pH 6-8) 1.59 7.18 -97.42 3 3 2 34 265.426 3

Activity (Go SEA)

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