UCSF

ZINC01290392

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 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) 6.35 11.36 -19.36 2 5 0 75 457.58 5
Hi High (pH 8-9.5) 6.81 10.13 -49.38 1 5 -1 78 456.572 5

Activity (Go SEA)

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