UCSF

ZINC42919829

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 14 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) -1.32 2.38 -77.32 3 7 -1 134 204.158 6
Mid Mid (pH 6-8) -1.32 2.09 -109.41 2 7 -2 133 203.15 6

Activity (Go SEA)

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