UCSF

ZINC33693237

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 33 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) 4.58 10.76 -29.84 2 7 0 87 479.459 5
Hi High (pH 8-9.5) 4.76 9.7 -58.41 1 7 -1 94 478.451 5

Activity (Go SEA)

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