UCSF

ZINC36207209

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 29 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) 2.61 6.75 -12.95 2 7 0 96 415.515 9
Mid Mid (pH 6-8) 2.61 8.52 -58.34 3 7 1 97 416.523 9
Mid Mid (pH 6-8) 3.06 5.93 -45.35 2 7 0 100 415.515 9

Activity (Go SEA)

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