UCSF

ZINC39930960

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2010 22 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) 2.72 9.53 -45.64 1 4 1 42 301.41 3
Hi High (pH 8-9.5) 2.72 7.48 -10.11 0 4 0 41 300.402 3

Activity (Go SEA)

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