UCSF

ZINC12590427

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) 3.84 7.84 -21.15 2 5 0 71 347.418 4
Lo Low (pH 4.5-6) 3.84 8.12 -43.57 3 5 1 72 348.426 4

Activity (Go SEA)

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