UCSF

ZINC34365458

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 38 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) 5.95 16.5 -40.08 3 7 1 88 508.646 7
Hi High (pH 8-9.5) 5.95 16.13 -19.39 2 7 0 87 507.638 7

Activity (Go SEA)

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