UCSF

ZINC31158571

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 23 No

Download: MOL2 SDF SMILES Flexibase

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) 3.34 2.51 -86.3 2 7 -2 138 332.651 1
Mid Mid (pH 6-8) 3.34 1.85 -48.93 3 7 -1 135 333.659 1

Activity (Go SEA)

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