UCSF

ZINC19997767

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 26 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) 3.04 8.27 -44.97 1 6 -1 73 371.486 4
Lo Low (pH 4.5-6) 2.58 9.35 -8.73 2 6 0 70 372.494 4

Activity (Go SEA)

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