UCSF

ZINC34660775

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 18 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) 0.54 2.19 -48.6 5 6 1 98 272.712 5
Hi High (pH 8-9.5) 0.54 0.73 -22.63 4 6 0 93 271.704 5

Activity (Go SEA)

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