UCSF

ZINC44659892

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) 0.13 0.18 -48.49 5 5 1 86 267.349 8
Mid Mid (pH 6-8) 0.13 -0.15 -11.51 4 5 0 85 266.341 8

Activity (Go SEA)

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