UCSF

ZINC32209797

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 21 No

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) 1.73 4.86 -54.71 2 6 -1 98 307.351 6
Lo Low (pH 4.5-6) 1.73 5.26 -64.11 3 6 0 99 308.359 6

Activity (Go SEA)

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