UCSF

ZINC44722754

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 13 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) 0.60 3.15 -29.87 2 3 1 26 185.291 5
Hi High (pH 8-9.5) 0.60 0.82 -1.88 1 3 0 24 184.283 5
Lo Low (pH 4.5-6) 0.60 4.35 -101.28 3 3 2 30 186.299 5

Activity (Go SEA)

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