UCSF

ZINC31868461

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 32 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) 4.20 11.9 -50.16 2 6 1 60 453.563 7
Mid Mid (pH 6-8) 4.20 9.37 -10.87 1 6 0 59 452.555 7

Activity (Go SEA)

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