UCSF

ZINC60005551

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 15 No

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) 2.14 5.12 -41.94 2 3 1 47 197.217 1
Mid Mid (pH 6-8) 2.14 4.64 -9.38 1 3 0 46 196.209 1

Activity (Go SEA)

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