UCSF

ZINC41708694

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 19 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) 2.21 9.73 -53.05 1 3 1 26 261.389 3
Hi High (pH 8-9.5) 2.21 7.54 -9.89 0 3 0 25 260.381 3

Activity (Go SEA)

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