UCSF

ZINC09312505

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 35 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) 4.55 10.73 -78.08 2 7 0 94 480.605 12
Hi High (pH 8-9.5) 4.55 8.44 -62.59 1 7 -1 93 479.597 12
Mid Mid (pH 6-8) 5.00 9.95 -43.32 3 7 1 92 481.613 11

Activity (Go SEA)

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