UCSF

ZINC25319510

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 18 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) -1.23 -0.48 -47.15 4 6 1 80 255.342 5
Hi High (pH 8-9.5) -1.23 -2.78 -18.04 3 6 0 79 254.334 5
Lo Low (pH 4.5-6) -1.23 1.77 -111.67 5 6 2 81 256.35 5
Lo Low (pH 4.5-6) -1.23 -0.53 -38.47 4 6 1 80 255.342 5

Activity (Go SEA)

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