UCSF

ZINC44514887

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 15 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) 0.26 3.8 -53.77 3 4 1 57 207.301 2
Mid Mid (pH 6-8) 0.26 3.91 -87.82 4 4 2 58 208.309 2

Activity (Go SEA)

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