UCSF

ZINC01290291

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) 5.94 10.46 -17.36 2 6 0 84 465.6 7
Hi High (pH 8-9.5) 6.40 9.21 -48.95 1 6 -1 87 464.592 7

Activity (Go SEA)

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