UCSF

ZINC32233303

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) 2.52 8.19 -45.93 0 5 -1 70 314.292 4
Lo Low (pH 4.5-6) 2.52 7.06 -16.34 1 5 0 67 315.3 4

Activity (Go SEA)

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