UCSF

ZINC36160884

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 17 No

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) -1.18 -0.46 -63.18 3 5 1 78 256.351 3
Hi High (pH 8-9.5) -1.18 -0.88 -12.06 2 5 0 76 255.343 3
Lo Low (pH 4.5-6) -1.18 -0.87 -128.49 4 5 2 79 257.359 3

Activity (Go SEA)

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