UCSF

ZINC57667974

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 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) 4.33 9.57 -15.85 2 2 0 16 275.803 4
Mid Mid (pH 6-8) 4.33 8.81 -4.16 1 2 0 15 274.795 4

Activity (Go SEA)

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