UCSF

ZINC09086312

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 32 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) 5.31 11.69 -14.69 1 5 0 67 490.353 6
Mid Mid (pH 6-8) 4.73 12.53 -23.25 0 5 0 64 490.353 6

Activity (Go SEA)

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