UCSF

ZINC32228726

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 21 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) 1.64 4.89 -53.74 3 5 1 66 313.805 5
Hi High (pH 8-9.5) 1.64 3.32 -13.91 2 5 0 62 312.797 5

Activity (Go SEA)

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