UCSF

ZINC36988991

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.50 5.56 -26.1 3 5 1 59 348.224 3
Hi High (pH 8-9.5) 2.50 5.22 -11.01 2 5 0 57 347.216 3

Activity (Go SEA)

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