UCSF

ZINC48263733

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 30 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) 2.94 7.12 -38.46 2 7 1 64 420.574 8
Lo Low (pH 4.5-6) 2.94 8.66 -117.25 3 7 2 66 421.582 8

Activity (Go SEA)

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