UCSF

ZINC17968965

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2008 26 No

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) 2.90 2.32 -79.07 4 6 2 87 358.438 11
Hi High (pH 8-9.5) 2.90 2.33 -36.02 2 6 0 88 356.422 11
Hi High (pH 8-9.5) 2.90 3.13 -66.14 1 6 -1 91 355.414 11
Hi High (pH 8-9.5) 2.90 1.29 -36.59 3 6 1 85 357.43 11
Mid Mid (pH 6-8) 2.90 3.34 -63.42 3 6 1 90 357.43 11

Activity (Go SEA)

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