UCSF

ZINC32229366

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 0.67 2.01 -48.96 3 6 1 74 314.402 11
Hi High (pH 8-9.5) 0.67 0.46 -11.5 2 6 0 69 313.394 11

Activity (Go SEA)

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