UCSF

ZINC52039813

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 1.93 6.16 -43.54 2 4 1 43 265.377 8
Hi High (pH 8-9.5) 1.93 4.08 -8.67 1 4 0 42 264.369 8

Activity (Go SEA)

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