UCSF

ZINC06622883

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 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) 4.53 9.47 -14.47 1 4 0 45 383.542 6
Lo Low (pH 4.5-6) 4.53 10.24 -91.1 2 4 0 46 384.55 6

Activity (Go SEA)

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