UCSF

ZINC20292531

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 32 Yes

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) 3.01 12.68 -8.41 0 5 0 50 432.564 4
Lo Low (pH 4.5-6) 3.01 14.27 -43.13 1 5 1 51 433.572 4

Activity (Go SEA)

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