UCSF

ZINC49549102

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 27 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) 2.15 3.97 -26.5 2 8 0 98 366.377 4
Ref Reference (pH 7) 2.15 4.72 -64.75 1 8 -1 101 365.369 4
Mid Mid (pH 6-8) 2.14 5.42 -18.71 2 8 0 98 366.377 4
Lo Low (pH 4.5-6) 2.15 4.44 -34.5 3 8 1 99 367.385 4
Lo Low (pH 4.5-6) 2.14 6.54 -34.7 3 8 1 99 367.385 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.