UCSF

ZINC40749434

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 20 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) 1.76 6.43 -106.1 5 3 2 48 271.408 2
Mid Mid (pH 6-8) 1.76 4.3 -45.16 4 3 1 47 270.4 2

Activity (Go SEA)

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