UCSF

ZINC21800211

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 26 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) 1.87 8.55 -58.2 2 6 1 61 351.43 4
Mid Mid (pH 6-8) 1.87 6.15 -18.62 1 6 0 59 350.422 4
Mid Mid (pH 6-8) 1.87 6.72 -36.31 2 6 1 61 351.43 4

Activity (Go SEA)

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