UCSF

ZINC35344271

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 28 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) 4.20 8.9 -27.99 2 6 0 84 394.5 7
Hi High (pH 8-9.5) 4.39 7.66 -54.04 1 6 -1 90 393.492 7

Activity (Go SEA)

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