UCSF

ZINC08896625

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 34 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) 5.12 13.61 -62.65 0 7 -1 96 457.506 8
Mid Mid (pH 6-8) 4.54 2.8 -14.7 0 7 0 89 458.514 8

Activity (Go SEA)

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