UCSF

ZINC33628461

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2009 35 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) 8.02 18.3 -29.32 2 5 1 57 478.701 11
Mid Mid (pH 6-8) 8.02 17.99 -15.37 1 5 0 56 477.693 11
Mid Mid (pH 6-8) 8.02 18.19 -41.21 2 5 1 60 478.701 11
Lo Low (pH 4.5-6) 8.02 18.5 -92.51 3 5 2 61 479.709 11

Activity (Go SEA)

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