UCSF

ZINC26744181

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 29 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) 0.72 9.25 -98.09 2 6 0 82 436.27 3
Hi High (pH 8-9.5) 0.72 7.83 -60.68 1 6 -1 77 435.262 3
Lo Low (pH 4.5-6) -2.03 8.16 -91.47 3 6 1 85 437.278 2

Activity (Go SEA)

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