UCSF

ZINC49413102

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 18 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) 1.34 3.06 -9.38 0 4 0 41 288.438 4
Mid Mid (pH 6-8) 1.34 5.05 -51.08 1 4 1 42 289.446 4

Activity (Go SEA)

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