UCSF

ZINC00000688

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 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) 3.06 6.29 -42.02 2 4 1 47 325.432 4
Lo Low (pH 4.5-6) 3.06 6.72 -92.33 3 4 2 48 326.44 4

Activity (Go SEA)

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