UCSF

ZINC09331513

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 27 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) 1.60 3.81 -17.63 3 8 0 114 387.417 5
Mid Mid (pH 6-8) 2.05 2.69 -45.45 2 8 -1 117 386.409 5
Lo Low (pH 4.5-6) 1.60 3.09 -20.73 3 8 0 114 387.417 5

Activity (Go SEA)

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