UCSF

ZINC32120981

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) -0.45 4.45 -63.54 3 6 1 84 275.361 3
Hi High (pH 8-9.5) -0.45 4.12 -11.56 2 6 0 82 274.353 3

Activity (Go SEA)

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