UCSF

ZINC36874150

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 1.78 6.45 -45.86 3 6 1 91 259.289 3
Hi High (pH 8-9.5) 1.78 5.3 -13.38 2 6 0 87 258.281 3
Lo Low (pH 4.5-6) 1.78 6.87 -121.66 4 6 2 92 260.297 3

Activity (Go SEA)

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