UCSF

ZINC35191003

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 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) 7.52 17.15 -30.18 2 8 1 103 487.58 9
Mid Mid (pH 6-8) 7.52 17.4 -16.15 1 8 0 101 486.572 9
Mid Mid (pH 6-8) 7.52 17.52 -79.46 2 8 0 106 487.58 9
Lo Low (pH 4.5-6) 7.52 17.69 -179.39 3 8 0 107 488.588 9

Activity (Go SEA)

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