UCSF

ZINC45320053

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 33 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) 7.88 17.86 -24.02 2 5 1 57 450.647 11
Mid Mid (pH 6-8) 7.88 17.56 -15.93 1 5 0 56 449.639 11
Mid Mid (pH 6-8) 7.88 17.74 -35.33 2 5 1 60 450.647 11
Lo Low (pH 4.5-6) 7.88 17.68 -83.5 3 5 2 61 451.655 11

Activity (Go SEA)

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