UCSF

ZINC49084248

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 18 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) 2.92 5.02 -41.85 4 3 1 42 260.283 3
Hi High (pH 8-9.5) 2.92 2.32 -3.92 3 3 0 41 259.275 3

Activity (Go SEA)

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