UCSF

ZINC37266411

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 16 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) 0.94 6.14 -109.64 3 3 2 30 228.38 4
Hi High (pH 8-9.5) 0.94 4.87 -36.09 2 3 1 26 227.372 4
Hi High (pH 8-9.5) 0.94 3.92 -38.22 2 3 1 29 227.372 4

Activity (Go SEA)

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