UCSF

ZINC35017079

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 23 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) 1.65 7.62 -37.7 1 6 -1 83 353.445 7
Mid Mid (pH 6-8) 2.40 8.73 -13.65 2 6 0 77 354.453 8

Activity (Go SEA)

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