UCSF

ZINC11840855

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2008 37 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) 2.82 0.1 -23.9 1 7 0 86 492.579 5
Lo Low (pH 4.5-6) 2.82 0.21 -44.55 2 7 1 88 493.587 5

Activity (Go SEA)

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