UCSF

ZINC69966770

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 24 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) 1.01 6.37 -10.02 1 6 0 62 328.416 4
Lo Low (pH 4.5-6) 1.01 7.96 -43.84 2 6 1 63 329.424 4

Activity (Go SEA)

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