UCSF

ZINC06848089

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2006 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) 3.65 9.71 -15.01 1 3 0 42 316.404 6
Lo Low (pH 4.5-6) 3.84 7.61 -34.6 2 3 1 47 317.412 6
Lo Low (pH 4.5-6) 3.65 9.98 -40.41 2 3 1 43 317.412 6

Activity (Go SEA)

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