UCSF

ZINC52002818

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 24 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) 3.31 8.82 -34.3 1 4 1 26 396.349 3
Lo Low (pH 4.5-6) 3.31 10.9 -101.81 2 4 2 27 397.357 3

Activity (Go SEA)

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