UCSF

ZINC34343412

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 17 No

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) -1.17 -4.82 -47.67 3 6 -1 118 255.227 1
Hi High (pH 8-9.5) -1.17 -4.06 -110.4 2 6 -2 121 254.219 1

Activity (Go SEA)

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