UCSF

ZINC43969036

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 15 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) 2.13 5.9 -101.62 3 3 2 30 218.385 7
Mid Mid (pH 6-8) 2.13 5.04 -26.98 2 3 1 26 217.377 7

Activity (Go SEA)

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