UCSF

ZINC16440362

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 25 No

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) 6.24 9.14 -8.37 1 4 0 54 417.328 3
Hi High (pH 8-9.5) 6.69 7.12 -51.42 0 4 -1 58 416.32 3

Activity (Go SEA)

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