UCSF

ZINC33812926

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 38 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) 2.68 7.5 -55.32 1 10 -1 124 524.594 11
Mid Mid (pH 6-8) 2.68 10.2 -72.35 2 10 0 125 525.602 11
Lo Low (pH 4.5-6) 2.68 8.89 -62.01 3 10 1 123 526.61 11

Activity (Go SEA)

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