UCSF

ZINC21748610

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 30 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) 2.29 4.03 -49.94 1 8 -1 109 430.437 7
Mid Mid (pH 6-8) 2.29 3.96 -21.3 2 8 0 107 431.445 7

Activity (Go SEA)

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