UCSF

ZINC00486018

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 17 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) 3.27 8.64 -35.15 2 2 1 20 229.347 1
Mid Mid (pH 6-8) 3.27 6.26 -5.14 1 2 0 19 228.339 1

Activity (Go SEA)

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