UCSF

ZINC39915604

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.31 6.78 -23.59 1 11 0 138 491.437 12
Mid Mid (pH 6-8) 1.48 9.24 -13.67 1 6 0 73 313.386 4

Activity (Go SEA)

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