UCSF

ZINC53130780

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) 0.05 4.58 -50.62 3 3 1 50 229.303 4
Hi High (pH 8-9.5) 0.05 4.29 -6.37 2 3 0 48 228.295 4
Lo Low (pH 4.5-6) 0.05 5.06 -110.96 4 3 2 51 230.311 4

Activity (Go SEA)

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