UCSF

ZINC44676636

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 2.45 6.42 -7.75 1 2 0 36 200.285 4
Mid Mid (pH 6-8) 2.45 7.5 -47.47 2 2 1 40 201.293 4

Activity (Go SEA)

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