UCSF

ZINC34975138

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 2.45 8 -43.69 1 3 0 45 235.308 3
Hi High (pH 8-9.5) 2.45 5.53 -51.85 0 3 -1 43 234.3 3

Activity (Go SEA)

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