UCSF

ZINC02614407

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 32 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) 7.53 13.56 -17.88 1 4 0 55 462.64 7
Hi High (pH 8-9.5) 7.98 12.32 -48.49 0 4 -1 58 461.632 7

Activity (Go SEA)

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