UCSF

ZINC37988050

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 18 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) 2.10 6.2 -40.83 2 6 1 72 254.31 6
Hi High (pH 8-9.5) 2.10 3.96 -8.65 1 6 0 70 253.302 6

Activity (Go SEA)

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