UCSF

ZINC26515862

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 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) 0.43 2.36 -40.07 2 4 1 52 174.22 4
Mid Mid (pH 6-8) 0.43 1.2 -9.12 1 4 0 48 173.212 4

Activity (Go SEA)

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