UCSF

ZINC38261750

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 17 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) 3.44 9.5 -25.63 1 2 1 17 231.363 1
Mid Mid (pH 6-8) 3.44 9.11 -4.76 0 2 0 16 230.355 1

Activity (Go SEA)

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