UCSF

ZINC58013955

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2011 15 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) 2.29 5.55 -53.72 3 4 0 71 208.261 4
Hi High (pH 8-9.5) 2.29 5.44 -49.44 2 4 -1 69 207.253 4

Activity (Go SEA)

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