UCSF

ZINC26989504

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 20 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) 5.11 11.74 -26.62 1 2 1 8 281.508 7
Mid Mid (pH 6-8) 5.11 11.81 -26.95 1 2 1 8 281.508 7
Mid Mid (pH 6-8) 5.11 12.21 -105.46 2 2 2 9 282.516 7

Activity (Go SEA)

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