UCSF

ZINC46512601

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.11 7.34 -38.09 3 3 1 48 263.405 7
Hi High (pH 8-9.5) 3.11 5.74 -7.76 2 3 0 46 262.397 7

Activity (Go SEA)

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