UCSF

ZINC41530498

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 24 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) 2.93 5.66 -8.97 1 5 0 51 334.46 8
Mid Mid (pH 6-8) 2.93 7.68 -44.76 2 5 1 52 335.468 8

Activity (Go SEA)

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