UCSF

ZINC40502851

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 17 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) 3.51 8.75 -106.81 3 2 2 21 240.435 4
Hi High (pH 8-9.5) 3.51 6.52 -35.3 2 2 1 20 239.427 4
Mid Mid (pH 6-8) 3.51 7.82 -31.67 2 2 1 16 239.427 4

Activity (Go SEA)

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