UCSF

ZINC53129915

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 0.48 3.67 -53.79 3 5 1 79 273.36 4
Hi High (pH 8-9.5) 0.48 3.39 -6.88 2 5 0 78 272.352 4
Lo Low (pH 4.5-6) 0.48 4.12 -94.05 4 5 2 81 274.368 4

Activity (Go SEA)

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