UCSF

ZINC09065192

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 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) 5.18 12.92 -49.29 0 8 -1 119 488.476 5
Mid Mid (pH 6-8) 5.63 12.91 -21.31 1 8 0 116 489.484 4

Activity (Go SEA)

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