UCSF

ZINC19973847

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 30 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) 1.80 9.1 -80.71 1 7 0 87 409.486 9
Lo Low (pH 4.5-6) 1.80 8.27 -58.36 2 7 1 84 410.494 9

Activity (Go SEA)

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