UCSF

ZINC21790022

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 27 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) 2.45 1.64 -12.12 1 8 0 99 386.433 7
Lo Low (pH 4.5-6) 2.45 2.09 -48.74 2 8 1 101 387.441 7

Activity (Go SEA)

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