UCSF

ZINC52274209

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 14 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) 3.67 7.62 -31.27 2 1 1 17 210.366 4
Hi High (pH 8-9.5) 3.67 6.23 -1.42 1 1 0 12 209.358 4

Activity (Go SEA)

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