UCSF

ZINC25998537

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 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) 4.12 7.31 -6.78 0 1 0 13 185.27 1
Mid Mid (pH 6-8) 4.12 7.69 -24.65 1 1 1 14 186.278 1

Activity (Go SEA)

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