UCSF

ZINC34934389

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 No

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) 2.03 5.7 -62.71 0 9 -1 107 456.471 10
Lo Low (pH 4.5-6) 2.03 4.94 -19.48 1 9 0 104 457.479 10

Activity (Go SEA)

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