UCSF

ZINC33850313

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 38 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.26 13.17 -52.62 2 6 1 65 528.698 11
Hi High (pH 8-9.5) 5.26 11.15 -12.28 1 6 0 64 527.69 11

Activity (Go SEA)

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