UCSF

ZINC48418060

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 21 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) 1.74 7.04 -11.16 0 4 0 37 284.359 4
Mid Mid (pH 6-8) 1.74 9.25 -42.4 1 4 1 38 285.367 4

Activity (Go SEA)

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