UCSF

ZINC08892814

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 37 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) 5.07 10.4 -58.18 0 7 -1 82 526.053 11
Mid Mid (pH 6-8) 4.49 13.44 -49.58 1 7 1 77 528.069 11
Mid Mid (pH 6-8) 5.52 13.46 -52.21 2 7 1 81 528.069 10
Mid Mid (pH 6-8) 5.07 12.73 -72.35 1 7 0 83 527.061 11

Activity (Go SEA)

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