UCSF

ZINC20543376

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 29 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) 3.75 8.84 -14.51 1 5 0 53 405.42 5
Mid Mid (pH 6-8) 3.75 11.13 -59.92 2 5 1 54 406.428 5

Activity (Go SEA)

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