UCSF

ZINC37268213

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) -0.18 0.07 -53.26 6 6 1 103 255.273 5
Hi High (pH 8-9.5) -0.18 -2.14 -19.3 5 6 0 101 254.265 5

Activity (Go SEA)

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