UCSF

ZINC33587848

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 18 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) -0.82 -1.64 -60.71 5 6 1 102 269.35 5
Hi High (pH 8-9.5) -0.82 -3.01 -17.64 4 6 0 97 268.342 5

Activity (Go SEA)

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