UCSF

ZINC02608753

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.70 8.85 -17.69 1 6 0 73 460.419 10
Hi High (pH 8-9.5) 4.88 7.79 -42.94 0 6 -1 80 459.411 10

Activity (Go SEA)

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