UCSF

ZINC14304691

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2008 20 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) 2.24 7.14 -15.97 1 4 0 55 263.3 2
Mid Mid (pH 6-8) 2.31 5.45 -32.63 2 4 1 60 264.308 2

Activity (Go SEA)

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