UCSF

ZINC01232419

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 25 No

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) 3.34 7.38 -23.53 1 6 0 89 356.403 4
Mid Mid (pH 6-8) 3.34 7.61 -68.4 0 6 -1 91 355.395 4

Activity (Go SEA)

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