UCSF

ZINC51649687

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.26 2.43 -42.96 3 6 1 72 274.385 10
Hi High (pH 8-9.5) 0.26 0.18 -11.53 2 6 0 71 273.377 10

Activity (Go SEA)

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