UCSF

ZINC43705406

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 16 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) 0.68 4.21 -47.28 2 5 1 61 232.3 8
Mid Mid (pH 6-8) 0.68 2.83 -7.57 1 5 0 57 231.292 8

Activity (Go SEA)

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