UCSF

ZINC36933292

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 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) 0.46 2.45 -41.85 3 5 1 58 253.37 5
Hi High (pH 8-9.5) 0.46 1.38 -6.01 2 5 0 53 252.362 5
Lo Low (pH 4.5-6) 0.46 4.35 -123.52 4 5 2 59 254.378 5

Activity (Go SEA)

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