UCSF

ZINC22992389

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.59 10.64 -20.69 2 5 0 71 417.465 5
Hi High (pH 8-9.5) 4.65 9.74 -50.23 1 5 -1 77 416.457 5

Activity (Go SEA)

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