UCSF

ZINC16003240

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2008 26 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) 2.36 8.1 -49.48 2 6 1 72 366.47 4
Mid Mid (pH 6-8) 2.36 5.82 -13.77 1 6 0 71 365.462 4

Activity (Go SEA)

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