UCSF

ZINC41195579

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 21 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) 4.17 9.32 -33.12 2 2 1 29 305.442 5
Mid Mid (pH 6-8) 4.17 8.21 -5.79 1 2 0 25 304.434 5

Activity (Go SEA)

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