UCSF

ZINC31898759

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 30 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) 3.15 13.64 -54.2 1 6 1 60 425.578 6
Mid Mid (pH 6-8) 3.15 11.21 -18.85 0 6 0 58 424.57 6

Activity (Go SEA)

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