UCSF

ZINC20264846

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 34 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) 3.35 7.62 -55.66 0 7 -1 82 467.517 9
Mid Mid (pH 6-8) 3.35 9.97 -66.9 1 7 0 83 468.525 9
Lo Low (pH 4.5-6) 3.35 9.16 -52.55 2 7 1 81 469.533 9

Activity (Go SEA)

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