UCSF

ZINC00576345

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 21 No

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) 4.52 11.09 -57.6 0 3 -1 52 274.299 3
Lo Low (pH 4.5-6) 4.52 10.84 -57.33 1 3 0 54 275.307 3

Activity (Go SEA)

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