UCSF

ZINC01290282

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 30 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) 5.72 10.17 -17.87 2 5 0 75 439.537 5
Hi High (pH 8-9.5) 6.18 8.92 -46.82 1 5 -1 78 438.529 5

Activity (Go SEA)

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