UCSF

ZINC32130304

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) 2.96 10.03 -90.35 3 3 2 30 286.419 8
Hi High (pH 8-9.5) 2.96 8.61 -36.01 2 3 1 26 285.411 8
Hi High (pH 8-9.5) 2.96 7.42 -43.63 2 3 1 29 285.411 8
Hi High (pH 8-9.5) 2.96 6.01 -4.81 1 3 0 24 284.403 8

Activity (Go SEA)

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