UCSF

ZINC36783843

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 31 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) 4.22 8.66 -18.9 1 7 0 92 460.625 6
Hi High (pH 8-9.5) 4.04 7.59 -49.43 0 7 -1 99 459.617 6

Activity (Go SEA)

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