UCSF

ZINC67980030

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 23 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) 3.53 9.42 -47.28 2 3 1 34 323.338 5
Hi High (pH 8-9.5) 3.53 6.94 -8.91 1 3 0 32 322.33 5

Activity (Go SEA)

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