UCSF

ZINC34699537

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 28 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) 4.16 13.01 -51.32 2 7 1 69 397.89 6
Hi High (pH 8-9.5) 4.16 10.54 -12.25 1 7 0 68 396.882 6

Activity (Go SEA)

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