UCSF

ZINC32229798

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 23 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) 0.67 6.23 -49.95 3 5 1 70 314.409 7
Lo Low (pH 4.5-6) 0.67 6.66 -94.41 4 5 2 71 315.417 7

Activity (Go SEA)

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