UCSF

ZINC55033247

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 16 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) 2.12 4.26 -46.54 3 2 1 37 228.262 4
Hi High (pH 8-9.5) 2.12 2.92 -5.52 2 2 0 32 227.254 4

Activity (Go SEA)

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