UCSF

ZINC45047242

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 13 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) 2.67 3.76 -116.37 5 2 2 44 186.343 3
Mid Mid (pH 6-8) 2.67 3.36 -29.48 4 2 1 43 185.335 3

Activity (Go SEA)

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