UCSF

ZINC18155154

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 23 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) 2.33 6.24 -16.58 1 6 0 76 373.21 3
Hi High (pH 8-9.5) 3.24 5.02 -52.3 0 6 -1 83 372.202 3
Hi High (pH 8-9.5) 3.24 4.06 -48.29 0 6 -1 83 372.202 3

Activity (Go SEA)

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