UCSF

ZINC63699106

Substance Information

In ZINC since Heavy atoms Benign functionality
June 4th, 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) 3.08 2.62 -15.72 4 6 0 90 333.775 4
Hi High (pH 8-9.5) 3.08 3.4 -48.55 3 6 -1 93 332.767 4

Activity (Go SEA)

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