UCSF

ZINC36181569

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 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) 1.46 2.11 -44.46 0 6 -1 84 272.302 7
Mid Mid (pH 6-8) 1.46 2.06 -11.13 1 6 0 82 273.31 7

Activity (Go SEA)

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