UCSF

ZINC21794069

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 4.23 10.16 -38.71 3 6 1 71 382.875 5
Mid Mid (pH 6-8) 4.23 10.07 -37.43 3 6 1 71 382.875 5
Mid Mid (pH 6-8) 4.23 9.8 -14.26 2 6 0 70 381.867 5

Activity (Go SEA)

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