UCSF

ZINC33829200

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 15 No

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) 3.41 9.14 -39.61 1 1 1 4 224.755 2
Hi High (pH 8-9.5) 3.41 7.21 -2.7 0 1 0 3 223.747 2

Activity (Go SEA)

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