UCSF

ZINC16734447

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 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) 3.41 12.01 -57.64 0 8 -1 109 483.5 10
Mid Mid (pH 6-8) 3.86 9.32 -30.43 1 8 0 106 484.508 9
Mid Mid (pH 6-8) 2.83 10.31 -27.42 0 8 0 103 484.508 10
Lo Low (pH 4.5-6) 3.86 9.64 -58.15 2 8 1 107 485.516 9
Lo Low (pH 4.5-6) 2.83 10.63 -58.22 1 8 1 104 485.516 10

Activity (Go SEA)

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