UCSF

ZINC41306332

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 29 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) 2.13 8.1 -53.24 1 8 -1 108 397.407 9
Lo Low (pH 4.5-6) 2.13 6.12 -17.39 2 8 0 105 398.415 9

Activity (Go SEA)

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