UCSF

ZINC08779351

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 31 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) 2.53 8.28 -60.5 0 9 -1 126 441.441 7
Mid Mid (pH 6-8) 2.98 7.36 -33.17 1 9 0 123 442.449 6
Mid Mid (pH 6-8) 1.95 8.36 -21.38 0 9 0 120 442.449 7

Activity (Go SEA)

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