UCSF

ZINC23144407

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 31 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) 2.21 3.21 -52.06 1 10 -1 132 454.477 13
Hi High (pH 8-9.5) 2.21 3.28 -125.26 0 10 -2 135 453.469 13

Activity (Go SEA)

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