UCSF

ZINC36253653

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 29 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) 2.38 6.96 -11.72 1 6 0 66 398.551 6
Lo Low (pH 4.5-6) 2.38 9.47 -48.81 2 6 1 67 399.559 6
Lo Low (pH 4.5-6) 2.38 9.94 -98.9 3 6 2 68 400.567 6

Activity (Go SEA)

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