UCSF

ZINC19537691

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 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) 2.47 8.28 -38.53 1 5 1 53 284.767 3
Hi High (pH 8-9.5) 2.47 6.2 -4.53 0 5 0 52 283.759 3

Activity (Go SEA)

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