UCSF

ZINC25882139

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.23 1.66 -17.71 5 6 0 104 350.172 3
Hi High (pH 8-9.5) 3.23 2.67 -59.4 4 6 -1 107 349.164 3

Activity (Go SEA)

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