UCSF

ZINC43259636

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) 3.22 4.17 -43.22 3 2 1 31 306.293 6
Hi High (pH 8-9.5) 3.22 6.25 -33.31 3 2 1 30 306.293 6
Hi High (pH 8-9.5) 3.22 5.22 -1.55 2 2 0 29 305.285 6
Lo Low (pH 4.5-6) 3.22 6.63 -113.7 4 2 2 32 307.301 6

Activity (Go SEA)

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