UCSF

ZINC39967018

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 34 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) 4.54 12.01 -17.24 1 9 0 108 503.65 11
Hi High (pH 8-9.5) 4.72 10.58 -43.89 0 9 -1 115 502.642 11

Activity (Go SEA)

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