UCSF

ZINC24601699

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2009 25 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) 1.84 6.06 -73.63 1 6 0 73 379.507 5
Mid Mid (pH 6-8) 1.84 3.75 -54.42 0 6 -1 72 378.499 5
Lo Low (pH 4.5-6) 1.84 6.08 -53.28 2 6 1 71 380.515 5

Activity (Go SEA)

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