UCSF

ZINC19354087

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 31 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) 2.71 9.8 -47.23 4 9 1 107 424.481 5
Mid Mid (pH 6-8) 2.71 8.79 -19.32 3 9 0 105 423.473 5
Lo Low (pH 4.5-6) 2.71 10.22 -116.02 5 9 2 108 425.489 5

Activity (Go SEA)

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