UCSF

ZINC37083629

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 4.66 10.41 -6.39 0 2 0 16 288.822 3
Mid Mid (pH 6-8) 4.66 10.87 -23.74 1 2 1 17 289.83 3

Activity (Go SEA)

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