UCSF

ZINC60240708

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 20 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) 4.13 8.14 -4.23 2 3 0 42 269.392 3
Mid Mid (pH 6-8) 4.13 8.08 -32.72 3 3 1 43 270.4 3

Activity (Go SEA)

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