UCSF

ZINC19794912

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 26 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) 1.64 6.3 -47.47 1 6 1 54 355.462 5
Mid Mid (pH 6-8) 1.64 6.25 -45.69 1 6 1 54 355.462 5
Mid Mid (pH 6-8) 1.64 3.92 -9.5 0 6 0 53 354.454 5

Activity (Go SEA)

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