UCSF

ZINC58637769

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2011 23 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) 4.25 9.11 -40.19 2 4 1 43 321.485 10
Mid Mid (pH 6-8) 4.25 6.56 -6.91 1 4 0 42 320.477 10

Activity (Go SEA)

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