UCSF

ZINC09013543

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 32 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) 4.37 15.37 -23.05 1 7 0 81 423.476 5
Hi High (pH 8-9.5) 4.37 15.9 -17.69 2 7 0 84 423.476 5
Hi High (pH 8-9.5) 4.37 15.64 -56.79 1 7 -1 83 422.468 5
Mid Mid (pH 6-8) 4.37 15.7 -41.26 2 7 1 83 424.484 5

Activity (Go SEA)

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