UCSF

ZINC53157223

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) 2.97 7.7 -36.58 2 2 1 16 271.787 6
Mid Mid (pH 6-8) 2.97 9.05 -115.4 3 2 2 21 272.795 6

Activity (Go SEA)

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