UCSF

ZINC19882660

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 31 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) 2.87 7.83 -54.66 0 6 -1 73 423.464 6
Mid Mid (pH 6-8) 2.87 10.18 -68.9 1 6 0 74 424.472 6
Lo Low (pH 4.5-6) 2.87 9.36 -53.89 2 6 1 71 425.48 6

Activity (Go SEA)

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