UCSF

ZINC12632733

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 22 No

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) 1.64 8.32 -15.71 0 7 0 98 297.27 4
Lo Low (pH 4.5-6) 1.64 8.6 -42.39 1 7 1 99 298.278 4

Activity (Go SEA)

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