UCSF

ZINC39762228

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 29 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) 4.49 11.24 -19.75 1 7 0 86 430.603 7
Hi High (pH 8-9.5) 4.68 10.03 -51.83 0 7 -1 92 429.595 7

Activity (Go SEA)

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