UCSF

ZINC04882167

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 27 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) 4.88 9.32 -16.32 2 5 0 63 381.501 8
Lo Low (pH 4.5-6) 4.88 9.66 -36.22 3 5 1 64 382.509 8

Activity (Go SEA)

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