UCSF

ZINC03634629

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.22 6.39 -56.45 3 5 1 63 426.577 5
Hi High (pH 8-9.5) 4.22 4.22 -7.9 2 5 0 62 425.569 5

Activity (Go SEA)

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