UCSF

ZINC09008556

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 36 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) 6.55 13.76 -59.2 0 6 -1 83 497.596 7
Mid Mid (pH 6-8) 7.00 13.15 -19.51 1 6 0 80 498.604 6

Activity (Go SEA)

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