UCSF

ZINC20590598

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 31 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) 2.58 4.61 -55.02 3 7 1 88 425.505 6
Mid Mid (pH 6-8) 2.58 5.23 -30.79 2 7 0 90 424.497 6
Mid Mid (pH 6-8) 2.58 2.92 -47.87 1 7 -1 89 423.489 6

Activity (Go SEA)

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