UCSF

ZINC36207713

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 3.18 8.53 -56.67 3 7 1 89 444.577 11
Hi High (pH 8-9.5) 3.63 5.97 -46.36 2 7 0 92 443.569 11

Activity (Go SEA)

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