UCSF

ZINC14301624

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2008 17 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) 2.90 3.89 -34.83 2 3 1 47 229.303 4
Mid Mid (pH 6-8) 2.90 3.98 -9.16 1 3 0 45 228.295 4

Activity (Go SEA)

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