UCSF

ZINC33779220

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 32 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) 3.85 10.47 -29.13 1 8 0 94 519.421 11
Hi High (pH 8-9.5) 4.03 9.4 -56.27 0 8 -1 100 518.413 11

Activity (Go SEA)

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