UCSF

ZINC36191649

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 28 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) 3.62 8.16 -17.76 1 8 0 94 397.46 5
Mid Mid (pH 6-8) 4.18 9.38 -49.95 2 8 1 99 398.468 4

Activity (Go SEA)

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