UCSF

ZINC18324101

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2008 15 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) 0.58 -1.1 -11.58 4 6 0 100 204.189 1
Hi High (pH 8-9.5) 1.03 -2.85 -45.73 3 6 -1 103 203.181 1
Hi High (pH 8-9.5) 1.03 -3.1 -43.49 3 6 -1 103 203.181 1

Activity (Go SEA)

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