UCSF

ZINC43261253

Substance Information

In ZINC since Heavy atoms Benign functionality
May 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) 0.30 -2.39 -47.49 5 4 1 71 310.237 7
Hi High (pH 8-9.5) 0.30 -1.29 -31.54 5 4 1 71 310.237 7
Hi High (pH 8-9.5) 0.30 -2.85 -4.64 4 4 0 70 309.229 7

Activity (Go SEA)

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