UCSF

ZINC05133355

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 24 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) 2.53 -3.68 -103.27 1 7 -2 126 347.348 7
Hi High (pH 8-9.5) 2.53 -3.1 -165.45 0 7 -3 128 346.34 7

Activity (Go SEA)

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