UCSF

ZINC12843829

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 2.84 10.11 -20.17 1 10 0 145 399.388 6
Hi High (pH 8-9.5) 3.37 9.84 -42.9 0 10 -1 148 398.38 7

Activity (Go SEA)

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