UCSF

ZINC43800358

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 16 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) -2.37 3.79 -80.18 2 6 0 86 228.248 4
Hi High (pH 8-9.5) -2.37 2.43 -55.26 1 6 -1 82 227.24 4

Activity (Go SEA)

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