UCSF

ZINC37033150

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.46 2.36 -53.24 4 6 1 103 246.193 3
Hi High (pH 8-9.5) 0.46 2.04 -9.77 3 6 0 101 245.185 3

Activity (Go SEA)

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