UCSF

ZINC02614408

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) 7.76 13.4 -17.54 1 4 0 55 483.058 7
Hi High (pH 8-9.5) 8.19 12.16 -46.93 0 4 -1 58 482.05 7

Activity (Go SEA)

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