UCSF

ZINC37815131

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.21 5.62 -47.58 2 5 1 57 282.408 3
Hi High (pH 8-9.5) 1.21 4.35 -9.89 1 5 0 53 281.4 3

Activity (Go SEA)

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