UCSF

ZINC45694241

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 14 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) 0.35 0.59 -59.78 2 4 1 60 222.33 5
Hi High (pH 8-9.5) 0.35 -0.45 -11.64 1 4 0 55 221.322 5

Activity (Go SEA)

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