UCSF

ZINC19905335

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 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) 1.30 7.95 -38.72 2 3 1 37 259.373 2
Hi High (pH 8-9.5) 1.30 6.43 -5.06 1 3 0 32 258.365 2
Lo Low (pH 4.5-6) 1.30 8.15 -103.92 3 3 0 38 260.381 2

Activity (Go SEA)

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