UCSF

ZINC63762163

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 18 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) 2.28 5.76 -38.5 2 4 1 43 251.35 7
Hi High (pH 8-9.5) 2.28 3.5 -8 1 4 0 42 250.342 7

Activity (Go SEA)

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