UCSF

ZINC25066090

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 30 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) 5.49 8.17 -44.1 1 7 -1 96 444.968 5
Lo Low (pH 4.5-6) 5.03 9.59 -15.36 2 7 0 93 445.976 5

Activity (Go SEA)

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