UCSF

ZINC23368826

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 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) 3.44 9.58 -43.78 2 4 1 37 375.577 9
Mid Mid (pH 6-8) 3.44 8.72 -35.75 2 4 1 37 375.577 9

Activity (Go SEA)

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