UCSF

ZINC08845264

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 34 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) 4.73 7.36 -17.75 3 7 0 99 475.932 5
Ref Reference (pH 7) 4.73 7.29 -13.18 3 7 0 99 475.932 5
Hi High (pH 8-9.5) 4.70 7.15 -54.46 1 7 -1 98 474.924 5
Hi High (pH 8-9.5) 4.70 7.34 -52.01 1 7 -1 98 474.924 5
Hi High (pH 8-9.5) 4.73 8.11 -44.62 2 7 -1 102 474.924 5
Mid Mid (pH 6-8) 4.73 8.08 -50.36 2 7 -1 102 474.924 5

Activity (Go SEA)

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