UCSF

ZINC49600569

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 18 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) 3.60 9.27 -31.34 1 3 1 28 310.215 5
Mid Mid (pH 6-8) 3.60 8.8 -6.88 0 3 0 27 309.207 5

Activity (Go SEA)

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