UCSF

ZINC36273365

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 24 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) 3.64 10.43 -40.4 3 4 1 48 321.448 3
Mid Mid (pH 6-8) 3.64 8.31 -23.91 3 4 1 48 321.448 3
Mid Mid (pH 6-8) 3.64 10.75 -87.12 4 4 2 49 322.456 3
Mid Mid (pH 6-8) 3.64 9.4 -10.46 2 4 0 47 320.44 3

Activity (Go SEA)

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