UCSF

ZINC35153989

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.92 8.49 -21.28 1 7 0 84 430.555 9
Hi High (pH 8-9.5) 4.11 7.02 -44.64 0 7 -1 91 429.547 9

Activity (Go SEA)

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