UCSF

ZINC45778426

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 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) 2.97 7.06 -31.41 1 3 1 17 283.823 4
Hi High (pH 8-9.5) 2.97 4.86 -3.33 0 3 0 16 282.815 4

Activity (Go SEA)

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