UCSF

ZINC45627552

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 1.82 4.92 -38.32 3 2 1 37 194.298 6
Hi High (pH 8-9.5) 1.82 4.63 -4.04 2 2 0 35 193.29 6

Activity (Go SEA)

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