UCSF

ZINC09110995

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 28 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) 5.27 11.81 -61.76 0 4 -1 60 376.476 8
Mid Mid (pH 6-8) 4.69 12.55 -9.25 0 4 0 54 377.484 8
Mid Mid (pH 6-8) 5.72 12.29 -17.88 1 4 0 58 377.484 7

Activity (Go SEA)

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