UCSF

ZINC37269922

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 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) 0.11 3.75 -46.29 4 6 1 80 299.782 5
Hi High (pH 8-9.5) 0.11 1.51 -16.5 3 6 0 79 298.774 5

Activity (Go SEA)

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