UCSF

ZINC31959605

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 1.95 3.97 -57.65 4 5 1 79 292.384 6
Hi High (pH 8-9.5) 2.51 2.84 -12.51 3 5 0 80 291.376 5
Mid Mid (pH 6-8) 1.77 2.9 -45.45 3 5 0 85 291.376 6

Activity (Go SEA)

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