UCSF

ZINC21639575

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 28 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) 4.30 10.93 -9.82 1 4 0 41 388.368 4
Lo Low (pH 4.5-6) 4.30 13.27 -59.92 2 4 1 42 389.376 4

Activity (Go SEA)

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