UCSF

ZINC43262787

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.30 0.43 -47.47 4 4 1 60 338.291 7
Hi High (pH 8-9.5) 1.30 -0.14 -4.43 3 4 0 59 337.283 7

Activity (Go SEA)

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