UCSF

ZINC49416570

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 17 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) -0.22 2.42 -10.89 1 6 0 72 257.315 6
Mid Mid (pH 6-8) -0.04 2.74 -48.98 0 6 -1 78 256.307 6

Activity (Go SEA)

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