UCSF

ZINC33783580

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 37 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) 5.31 9.58 -53.52 0 8 -1 103 519.961 8
Mid Mid (pH 6-8) 4.85 12 -16.33 1 8 0 100 520.969 8

Activity (Go SEA)

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