UCSF

ZINC09068010

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 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) 3.11 8.37 -59.21 0 9 -1 122 467.479 7
Mid Mid (pH 6-8) 2.53 8.7 -15.98 0 9 0 116 468.487 7
Mid Mid (pH 6-8) 3.56 8.77 -16.92 1 9 0 119 468.487 6

Activity (Go SEA)

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