UCSF

ZINC39379072

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 28 No

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) 4.71 11.16 -43.61 1 4 1 39 392.376 4
Mid Mid (pH 6-8) 4.71 8.7 -7.74 0 4 0 38 391.368 4

Activity (Go SEA)

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