UCSF

ZINC43262948

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 2.26 3.3 -40.02 3 4 1 49 366.345 9
Hi High (pH 8-9.5) 2.26 3.02 -3.11 2 4 0 48 365.337 9
Lo Low (pH 4.5-6) 2.26 4.42 -105.43 4 4 2 51 367.353 9

Activity (Go SEA)

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