UCSF

ZINC09065191

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 13 -48.99 0 8 -1 119 488.476 5
Mid Mid (pH 6-8) 5.63 12.32 -21.36 1 8 0 116 489.484 4

Activity (Go SEA)

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