UCSF

ZINC36680317

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 17 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) 2.70 4.16 -39.68 4 3 1 61 247.24 5
Hi High (pH 8-9.5) -0.59 4.53 -8.82 4 3 0 61 246.232 5

Activity (Go SEA)

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