UCSF

ZINC38590009

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.16 9.72 -59.99 2 5 1 61 369.876 5
Mid Mid (pH 6-8) 3.16 7.52 -14.98 1 5 0 59 368.868 5

Activity (Go SEA)

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