UCSF

ZINC60283296

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 12 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 7.34 -35.55 1 1 1 4 162.256 0
Mid Mid (pH 6-8) 2.13 4.93 -2.92 0 1 0 3 161.248 0

Activity (Go SEA)

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