UCSF

ZINC09007584

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 35 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) 1.67 5.69 -50.07 1 10 -1 128 484.529 10
Mid Mid (pH 6-8) 1.09 8.44 -52.43 2 10 1 123 486.545 10
Mid Mid (pH 6-8) 2.12 8.64 -50.14 3 10 1 127 486.545 9
Mid Mid (pH 6-8) 1.67 7.96 -68.42 2 10 0 129 485.537 10

Activity (Go SEA)

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