UCSF

ZINC33707682

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 35 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) 1.32 6.68 -34.86 3 10 0 130 522.027 10
Hi High (pH 8-9.5) 1.14 5.61 -63.26 2 10 -1 136 521.019 10

Activity (Go SEA)

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