UCSF

ZINC15770410

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 22 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) 3.02 5.17 -11.92 1 5 0 58 318.446 5
Lo Low (pH 4.5-6) 3.02 5.44 -38.91 2 5 1 59 319.454 5

Activity (Go SEA)

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