UCSF

ZINC37027412

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -0.10 2.02 -56.7 4 5 1 77 270.74 3
Hi High (pH 8-9.5) -0.10 1.7 -14.2 3 5 0 75 269.732 3

Activity (Go SEA)

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