UCSF

ZINC08994099

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 1.43 4.62 -50.85 2 7 -1 103 345.375 4
Ref Reference (pH 7) 1.49 2.18 -47.56 2 7 -1 107 345.375 4
Mid Mid (pH 6-8) 0.53 3.37 -13.9 3 7 0 101 346.383 4
Lo Low (pH 4.5-6) 0.53 2.5 -13.39 4 7 0 104 347.391 4

Activity (Go SEA)

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