UCSF

ZINC03057165

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 25 No

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) 3.34 11.33 -54.23 2 4 1 29 360.478 6
Hi High (pH 8-9.5) 3.34 9.11 -14.22 1 4 0 28 359.47 6

Activity (Go SEA)

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