UCSF

ZINC20745329

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 27 Yes

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) 2.85 5.43 -12.41 2 6 0 80 358.401 1
Ref Reference (pH 7) 2.66 8.04 -10.25 2 6 0 76 358.401 1

Activity (Go SEA)

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