UCSF

ZINC53157339

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) 2.02 4.94 -53.97 3 3 1 46 259.732 6
Mid Mid (pH 6-8) 2.02 3.58 -9.11 2 3 0 41 258.724 6

Activity (Go SEA)

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