UCSF

ZINC31959432

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 2.05 4.23 -54.41 4 4 1 70 327.227 3
Hi High (pH 8-9.5) 1.86 2.32 -40.55 2 4 -1 74 325.211 3
Mid Mid (pH 6-8) 2.05 3.71 -12.03 3 4 0 68 326.219 3
Mid Mid (pH 6-8) 1.86 3.03 -44.08 3 4 0 76 326.219 3

Activity (Go SEA)

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