UCSF

ZINC50280041

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2010 19 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) 4.05 6.53 -47.3 3 2 1 31 283.867 8
Mid Mid (pH 6-8) 4.05 8.42 -129.35 4 2 2 32 284.875 8

Activity (Go SEA)

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