UCSF

ZINC34604528

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 13 No

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) 1.06 4.5 -137.4 0 4 -2 72 200.13 3
Mid Mid (pH 6-8) 1.06 3.34 -44.6 1 4 -1 70 201.138 3

Activity (Go SEA)

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