UCSF

ZINC09435241

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 33 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) 3.70 9.62 -45.63 0 7 -1 92 446.479 9
Mid Mid (pH 6-8) 4.14 9.31 -27.69 1 7 0 89 447.487 8
Mid Mid (pH 6-8) 3.11 10.34 -21.65 0 7 0 86 447.487 9

Activity (Go SEA)

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