UCSF

ZINC33819082

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 35 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) 6.36 12.37 -42 2 9 1 99 519.409 7
Mid Mid (pH 6-8) 6.36 11.27 -22.26 1 9 0 97 518.401 7
Mid Mid (pH 6-8) 6.36 13.04 -96.68 3 9 2 100 520.417 7

Activity (Go SEA)

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