UCSF

ZINC02614343

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.56 14.22 -17.29 2 5 0 75 503.693 5
Hi High (pH 8-9.5) 7.01 12.97 -48.63 1 5 -1 78 502.685 5

Activity (Go SEA)

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