UCSF

ZINC36350715

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 27 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) 4.48 7.88 -15.56 2 5 0 75 380.469 6
Mid Mid (pH 6-8) 4.48 7.9 -50.08 1 5 -1 77 379.461 6

Activity (Go SEA)

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