UCSF

ZINC40925682

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 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) 1.00 0.43 -52.67 4 5 1 69 298.432 5
Hi High (pH 8-9.5) 1.00 0.18 -8.01 3 5 0 68 297.424 5
Lo Low (pH 4.5-6) 1.00 2.76 -103.66 5 5 2 70 299.44 5

Activity (Go SEA)

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