UCSF

ZINC37269752

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) 0.56 1.49 -50.23 5 6 1 89 251.31 5
Hi High (pH 8-9.5) 0.56 -0.72 -19.3 4 6 0 87 250.302 5

Activity (Go SEA)

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