UCSF

ZINC31897704

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 28 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) 3.55 13.08 -101.62 1 6 0 79 399.516 7
Mid Mid (pH 6-8) 3.55 11.05 -68.61 0 6 -1 78 398.508 7

Activity (Go SEA)

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