UCSF

ZINC62965144

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 14 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) 0.79 3.29 -88.3 4 3 2 35 201.358 5
Hi High (pH 8-9.5) 0.79 0.9 -42.14 3 3 1 34 200.35 5

Activity (Go SEA)

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