UCSF

ZINC36638138

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 4.59 10.75 -46.38 1 7 1 65 444.577 10
Hi High (pH 8-9.5) 4.59 8.59 -14.42 0 7 0 64 443.569 10

Activity (Go SEA)

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