UCSF

ZINC28018095

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 26 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) 2.18 6.29 -16.58 1 6 0 79 377.51 5
Hi High (pH 8-9.5) 2.18 5.36 -45.71 0 6 -1 81 376.502 5

Activity (Go SEA)

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