UCSF

ZINC20464352

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 31 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) 2.92 5.74 -53.39 2 9 1 100 423.449 5
Mid Mid (pH 6-8) 2.92 3.39 -15.64 1 9 0 99 422.441 5

Activity (Go SEA)

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