UCSF

ZINC34558759

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 26 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) 0.81 6.95 -23.71 1 8 0 91 354.366 4
Hi High (pH 8-9.5) 1.27 4.87 -57.62 0 8 -1 94 353.358 4

Activity (Go SEA)

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