UCSF

ZINC35017093

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 26 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) 3.79 8.43 -12.61 3 5 0 71 370.474 7
Mid Mid (pH 6-8) 3.04 7.34 -37.08 2 5 -1 77 369.466 6

Activity (Go SEA)

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