UCSF

ZINC37995353

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) -1.33 5.2 -41 2 7 0 94 285.344 8
Hi High (pH 8-9.5) -1.33 3.54 -62.86 1 7 -1 93 284.336 8

Activity (Go SEA)

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