UCSF

ZINC43615515

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 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) 2.13 9.66 -96.6 2 4 2 35 258.406 7
Hi High (pH 8-9.5) 2.13 7.72 -38.12 1 4 1 34 257.398 7

Activity (Go SEA)

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