UCSF

ZINC31325341

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 20 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) 1.46 2.9 -61.11 1 5 -1 64 288.352 5
Mid Mid (pH 6-8) 0.73 3.34 -37.23 2 5 0 67 289.36 5

Activity (Go SEA)

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