UCSF

ZINC20732694

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 23 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) 1.68 6.1 -9.36 2 6 0 78 310.357 2
Mid Mid (pH 6-8) 1.68 6.1 -9.93 2 6 0 78 310.357 2
Mid Mid (pH 6-8) 1.86 3.49 -9.4 2 6 0 82 310.357 2
Mid Mid (pH 6-8) 1.86 3.29 -11.43 2 6 0 82 310.357 2

Activity (Go SEA)

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