UCSF

ZINC26514925

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 16 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) 1.53 4.16 -57.21 3 3 1 45 224.234 2
Mid Mid (pH 6-8) 1.53 3.81 -8.2 2 3 0 44 223.226 2

Activity (Go SEA)

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