UCSF

ZINC21639544

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 32 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) 3.87 10.04 -12.14 1 7 0 69 442.466 7
Mid Mid (pH 6-8) 3.87 12.45 -52.2 2 7 1 70 443.474 7

Activity (Go SEA)

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