UCSF

ZINC36273317

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.81 8.29 -10.23 2 5 0 56 350.466 4
Mid Mid (pH 6-8) 3.81 8.52 -25.79 3 5 1 57 351.474 4
Lo Low (pH 4.5-6) 3.81 9.98 -90.02 4 5 2 58 352.482 4

Activity (Go SEA)

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