UCSF

ZINC60324691

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 38 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) 4.61 11.83 -57.39 3 6 1 83 510.658 7
Hi High (pH 8-9.5) 4.61 9.68 -16.18 2 6 0 82 509.65 7

Activity (Go SEA)

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