UCSF

ZINC23249345

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 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) 1.07 4.87 -42.15 2 7 1 66 395.911 6
Mid Mid (pH 6-8) 1.07 4.87 -40.98 2 7 1 66 395.911 6
Mid Mid (pH 6-8) 1.07 2.67 -12.96 1 7 0 65 394.903 6

Activity (Go SEA)

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