UCSF

ZINC32229158

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) -0.56 3.74 -68.97 3 6 1 79 314.365 5
Lo Low (pH 4.5-6) -0.56 4.18 -116.78 4 6 2 81 315.373 5

Activity (Go SEA)

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