UCSF

ZINC30922890

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 34 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) 3.09 7.1 -27.7 3 8 0 117 497.495 10
Hi High (pH 8-9.5) 3.09 6.84 -63.2 2 8 -1 119 496.487 10

Activity (Go SEA)

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