UCSF

ZINC37818923

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 2.09 3.52 -39.19 4 5 1 80 282.408 5
Hi High (pH 8-9.5) 2.09 2.43 -12.88 3 5 0 75 281.4 5

Activity (Go SEA)

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