UCSF

ZINC41655423

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.90 10.14 -43.78 1 3 0 54 271.36 4
Mid Mid (pH 6-8) 4.90 9.77 -51.2 0 3 -1 53 270.352 4

Activity (Go SEA)

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