UCSF

ZINC09421668

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 25 Yes

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) 4.04 5.33 -8.41 2 4 0 61 359.763 2
Ref Reference (pH 7) 3.85 7.99 -8.94 2 4 0 58 359.763 2
Mid Mid (pH 6-8) 3.85 8.09 -8.77 2 4 0 58 359.763 2
Mid Mid (pH 6-8) 4.04 5.42 -9.64 2 4 0 61 359.763 2

Activity (Go SEA)

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