UCSF

ZINC21881809

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 34 Yes

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) 1.62 9.58 -22.28 1 8 0 91 459.481 4
Hi High (pH 8-9.5) 2.52 8.53 -52.31 0 8 -1 94 458.473 4

Activity (Go SEA)

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