UCSF

ZINC31959779

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 3.21 6.56 -56.23 4 4 1 70 304.439 5
Hi High (pH 8-9.5) 3.77 5.31 -8.49 3 4 0 71 303.431 4
Mid Mid (pH 6-8) 3.03 5.49 -45.1 3 4 0 76 303.431 5

Activity (Go SEA)

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