UCSF

ZINC41584239

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 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) 6.70 15.09 -44.98 2 7 1 94 492.592 11
Hi High (pH 8-9.5) 6.70 15.77 -32.58 1 7 0 97 491.584 11

Activity (Go SEA)

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