UCSF

ZINC36175229

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 2.51 8.26 -16.65 0 4 0 46 343.789 4
Lo Low (pH 4.5-6) 2.51 8.72 -45.4 1 4 1 47 344.797 4

Activity (Go SEA)

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