UCSF

ZINC39763628

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 28 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) 2.02 1.81 -29.4 2 9 0 116 382.376 7
Hi High (pH 8-9.5) 2.09 -0.33 -73.33 1 9 -1 122 381.368 7

Activity (Go SEA)

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