UCSF

ZINC34944449

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 4.01 9.98 -62.42 0 7 -1 82 477.581 9
Mid Mid (pH 6-8) 4.01 12.26 -75.73 1 7 0 83 478.589 9
Lo Low (pH 4.5-6) 4.01 11.38 -52.84 2 7 1 81 479.597 9

Activity (Go SEA)

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