UCSF

ZINC39973026

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 27 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) 3.08 10.51 -19.48 1 7 0 86 406.581 7
Hi High (pH 8-9.5) 3.26 9.31 -52.5 0 7 -1 92 405.573 7

Activity (Go SEA)

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