UCSF

ZINC42459847

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.73 6.43 -45.46 1 3 1 31 244.261 6
Mid Mid (pH 6-8) 1.73 4.13 -12.24 0 3 0 30 243.253 6

Activity (Go SEA)

Rings

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