UCSF

ZINC41476170

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) 4.35 10.08 -7.31 0 3 0 29 257.381 5
Mid Mid (pH 6-8) 4.35 10.58 -23.22 1 3 1 30 258.389 5

Activity (Go SEA)

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