UCSF

ZINC37988520

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 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) 3.19 7.95 -38.74 2 2 1 29 265.446 3
Hi High (pH 8-9.5) 3.19 6.88 -3.38 1 2 0 25 264.438 3

Activity (Go SEA)

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