UCSF

ZINC34561180

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 18 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) 2.53 9.2 -32.87 1 3 1 31 248.346 4
Hi High (pH 8-9.5) 2.53 7.73 -5.04 0 3 0 30 247.338 4

Activity (Go SEA)

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