UCSF

ZINC36637689

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 35 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) 6.02 15.03 -43.02 1 5 1 51 489.571 6
Hi High (pH 8-9.5) 6.02 12.52 -9.89 0 5 0 49 488.563 6

Activity (Go SEA)

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