UCSF

ZINC32444698

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2009 21 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) 2.53 4.47 -13.59 1 5 0 66 351.255 4
Hi High (pH 8-9.5) 2.53 4.03 -50.44 0 5 -1 69 350.247 4

Activity (Go SEA)

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