UCSF

ZINC42965398

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 28 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) 7.34 14.27 -83.6 4 3 2 33 395.72 16
Mid Mid (pH 6-8) 7.34 13.05 -105.61 4 3 2 36 395.72 16

Activity (Go SEA)

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