UCSF

ZINC41196253

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 2.12 4.7 -27.02 2 3 1 33 280.461 3
Hi High (pH 8-9.5) 2.12 7.8 -33.28 2 3 1 29 280.461 3
Mid Mid (pH 6-8) 2.12 7.06 -96.51 3 3 2 34 281.469 3

Activity (Go SEA)

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