UCSF

ZINC11906433

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 28 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) 1.35 -5.67 -26.96 1 9 0 134 421.456 5
Hi High (pH 8-9.5) 1.35 -5.09 -62.33 0 9 -1 136 420.448 5

Activity (Go SEA)

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