UCSF

ZINC05093696

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 22 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) 2.64 2.37 -13 3 6 0 95 360.167 2
Hi High (pH 8-9.5) 3.55 1.76 -106.16 1 6 -2 104 358.151 2
Hi High (pH 8-9.5) 3.10 0.32 -51.52 2 6 -1 98 359.159 2
Hi High (pH 8-9.5) 3.10 0.62 -42.3 2 6 -1 98 359.159 2
Mid Mid (pH 6-8) 3.55 0.94 -57 2 6 -1 101 359.159 2

Activity (Go SEA)

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