UCSF

ZINC31899859

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 34 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) 2.61 12.33 -59.79 2 9 1 108 504.658 8
Mid Mid (pH 6-8) 2.61 9.89 -20.56 1 9 0 106 503.65 8

Activity (Go SEA)

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