UCSF

ZINC06995919

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2006 27 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) 2.83 8.43 -49.53 2 6 1 61 373.473 9
Hi High (pH 8-9.5) 2.83 6.18 -13.2 1 6 0 60 372.465 9

Activity (Go SEA)

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