UCSF

ZINC01290724

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 28 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) 5.02 9.07 -27.29 2 5 0 75 407.52 6
Hi High (pH 8-9.5) 5.47 7.83 -58.56 1 5 -1 78 406.512 6

Activity (Go SEA)

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