UCSF

ZINC41194674

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 18 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) 3.50 7.52 -36.34 2 2 1 29 285.502 5
Mid Mid (pH 6-8) 3.50 6.93 -3.43 1 2 0 25 284.494 5

Activity (Go SEA)

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