UCSF

ZINC12379409

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 29 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.53 7.02 -18.5 1 7 0 70 391.475 4
Mid Mid (pH 6-8) 1.53 7.71 -43.02 2 7 1 72 392.483 4
Lo Low (pH 4.5-6) 1.53 9.23 -55.91 2 7 1 72 392.483 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.