UCSF

ZINC34667591

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 33 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) 3.88 11.88 -14.37 1 6 0 66 444.579 4
Mid Mid (pH 6-8) 3.88 12.21 -43.26 2 6 1 67 445.587 4

Activity (Go SEA)

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