UCSF

ZINC04848479

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 25 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) 3.22 7.84 -11.38 1 6 0 57 361.829 7
Mid Mid (pH 6-8) 3.22 8.24 -30.76 2 6 1 58 362.837 7

Activity (Go SEA)

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