UCSF

ZINC35254476

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 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) 3.47 6.56 -7.63 1 4 0 44 354.244 7
Mid Mid (pH 6-8) 3.47 7.66 -47.55 2 4 1 48 355.252 7

Activity (Go SEA)

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