UCSF

ZINC20358885

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 37 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) 2.40 8.82 -59.43 0 9 -1 106 500.531 6
Mid Mid (pH 6-8) 2.40 11.16 -73.99 1 9 0 108 501.539 6
Lo Low (pH 4.5-6) 2.40 10.06 -53.69 2 9 1 105 502.547 6

Activity (Go SEA)

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