UCSF

ZINC44679559

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 14 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) 0.09 2.95 -86.34 5 3 2 44 199.342 5
Hi High (pH 8-9.5) 0.09 3.83 -107.11 5 3 2 47 199.342 5
Hi High (pH 8-9.5) 0.09 1.45 -36.03 4 3 1 46 198.334 5
Hi High (pH 8-9.5) 0.09 2.62 -30.2 4 3 1 42 198.334 5

Activity (Go SEA)

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