UCSF

ZINC32247814

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 28 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) 3.64 8.69 -11.13 1 4 0 42 374.484 6
Lo Low (pH 4.5-6) 3.64 10.95 -48.02 2 4 1 43 375.492 6

Activity (Go SEA)

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