UCSF

ZINC36107056

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 27 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) 3.09 5.33 -10.93 1 6 0 70 395.569 6
Mid Mid (pH 6-8) 3.09 7.58 -52.77 2 6 1 71 396.577 6

Activity (Go SEA)

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