UCSF

ZINC31897975

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) 1.28 8.46 -60.88 2 9 1 103 451.598 9
Mid Mid (pH 6-8) 1.28 6.34 -28.35 1 9 0 102 450.59 9

Activity (Go SEA)

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