UCSF

ZINC08409889

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 21 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) 3.25 3.99 -8.46 3 4 0 68 317.336 3
Lo Low (pH 4.5-6) 3.25 4.25 -31.46 4 4 1 69 318.344 3

Activity (Go SEA)

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