UCSF

ZINC35769148

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 34 Yes

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) 5.92 15.51 -10.36 0 5 0 49 456.634 5
Mid Mid (pH 6-8) 5.92 15.83 -33.44 1 5 1 51 457.642 5

Activity (Go SEA)

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