UCSF

ZINC22937574

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 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) 1.50 5.76 -44.5 2 7 1 66 389.549 5
Mid Mid (pH 6-8) 1.50 5.64 -47.76 2 7 1 66 389.549 5
Mid Mid (pH 6-8) 1.50 3.38 -12.79 1 7 0 65 388.541 5

Activity (Go SEA)

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