UCSF

ZINC05686923

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 20 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) 0.33 6.99 -53.44 0 5 -1 71 278.259 4
Lo Low (pH 4.5-6) 0.33 6.26 -23.1 1 5 0 69 279.267 4

Activity (Go SEA)

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