UCSF

ZINC43285398

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 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) 0.50 0.06 -52.74 5 4 1 74 307.237 5
Hi High (pH 8-9.5) 0.50 -0.46 -7.74 4 4 0 72 306.229 5
Lo Low (pH 4.5-6) 0.50 1.61 -124.33 6 4 2 75 308.245 5

Activity (Go SEA)

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