UCSF

ZINC53157407

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) 1.45 6.03 -54.63 2 3 1 37 259.732 5
Mid Mid (pH 6-8) 1.45 4.67 -9.71 1 3 0 32 258.724 5

Activity (Go SEA)

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