UCSF

ZINC07716277

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2006 20 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 -3.11 -17.16 1 5 0 76 310.762 4
Hi High (pH 8-9.5) 2.53 -2.54 -47.41 0 5 -1 78 309.754 4

Activity (Go SEA)

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