UCSF

ZINC07652325

Substance Information

In ZINC since Heavy atoms Benign functionality
June 9th, 2006 21 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) 2.70 6.87 -49.14 2 4 1 44 286.351 5
Hi High (pH 8-9.5) 2.70 5.46 -8.49 1 4 0 40 285.343 5

Activity (Go SEA)

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