UCSF

ZINC19733089

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 27 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) 2.44 8.97 -41.05 1 5 1 39 370.517 8
Lo Low (pH 4.5-6) 2.44 9.34 -97.36 2 5 2 40 371.525 8

Activity (Go SEA)

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