UCSF

ZINC20130254

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.70 7.07 -61.31 0 7 -1 86 423.489 8
Mid Mid (pH 6-8) 2.70 9.4 -73.27 1 7 0 87 424.497 8
Lo Low (pH 4.5-6) 2.70 8.58 -47.87 2 7 1 84 425.505 8

Activity (Go SEA)

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