UCSF

ZINC39762401

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 29 No

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) 1.69 8.59 -22.43 1 11 0 137 436.475 9
Hi High (pH 8-9.5) 1.87 7.37 -42.65 0 11 -1 143 435.467 9

Activity (Go SEA)

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