UCSF

ZINC44452438

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2010 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) 1.15 6.42 -61.91 2 8 1 82 434.538 8
Mid Mid (pH 6-8) 1.15 4.22 -17.32 1 8 0 80 433.53 8

Activity (Go SEA)

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