UCSF

ZINC32076403

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 22 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) 1.40 8.88 -63.07 2 5 0 74 314.47 9
Hi High (pH 8-9.5) 1.40 7.49 -53.76 1 5 -1 72 313.462 9

Activity (Go SEA)

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