UCSF

ZINC34858538

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 29 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) 2.02 3.45 -18.08 1 9 0 109 419.438 5
Hi High (pH 8-9.5) 2.02 3.05 -55.73 0 9 -1 111 418.43 5

Activity (Go SEA)

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