UCSF

ZINC20310631

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 28 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) 3.03 8.95 -80.72 2 6 0 85 400.862 6
Hi High (pH 8-9.5) 3.03 9.97 -133.62 1 6 -1 88 399.854 6
Hi High (pH 8-9.5) 3.03 7.44 -127.1 0 6 -2 87 398.846 6

Activity (Go SEA)

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