UCSF

ZINC52691364

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2010 21 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) 1.70 7.21 -36.59 2 4 1 45 291.415 9
Hi High (pH 8-9.5) 1.70 5.21 -9.11 1 4 0 44 290.407 9

Activity (Go SEA)

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