UCSF

ZINC34986294

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 4.25 10.69 -11.33 1 6 0 72 439.6 10
Lo Low (pH 4.5-6) 4.25 11.06 -44.91 2 6 1 73 440.608 10

Activity (Go SEA)

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