UCSF

ZINC36874016

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 2.75 6.86 -40.06 3 3 1 45 282.289 3
Hi High (pH 8-9.5) 2.75 5.22 -7.14 2 3 0 41 281.281 3
Lo Low (pH 4.5-6) 2.75 7.29 -115.75 4 3 2 47 283.297 3

Activity (Go SEA)

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