UCSF

ZINC32086923

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 26 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) 1.48 8.88 -53.93 1 6 -1 96 359.398 3
Hi High (pH 8-9.5) 1.48 9.87 -122.13 0 6 -2 99 358.39 3
Lo Low (pH 4.5-6) 1.48 6.72 -10.93 2 6 0 93 360.406 3

Activity (Go SEA)

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