UCSF

ZINC35502416

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 4.64 12.96 -15.34 1 5 0 58 400.526 5
Lo Low (pH 4.5-6) 4.64 13.31 -38.99 2 5 1 59 401.534 5

Activity (Go SEA)

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