UCSF

ZINC55342975

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 29 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) 3.37 9.56 -9.31 0 5 0 36 393.531 4
Mid Mid (pH 6-8) 3.37 9.53 -35.85 1 5 1 37 394.539 4

Activity (Go SEA)

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