UCSF

ZINC34605630

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 15 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) -2.17 -6.69 -32.83 5 6 1 95 222.261 4
Hi High (pH 8-9.5) -2.17 -9.02 -6.64 4 6 0 93 221.253 4

Activity (Go SEA)

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