UCSF

ZINC41230560

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 21 No

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) 0.61 3.48 -12.16 0 5 0 44 307.316 2
Mid Mid (pH 6-8) 0.61 5.83 -52.49 1 5 1 45 308.324 2

Activity (Go SEA)

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