UCSF

ZINC62153992

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 31 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) 3.80 7.23 -55.86 4 5 1 70 415.513 2
Hi High (pH 8-9.5) 3.80 4.98 -9.61 3 5 0 69 414.505 2

Activity (Go SEA)

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