UCSF

ZINC35122389

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 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) -0.23 0.91 -49.32 4 4 1 73 194.258 5
Hi High (pH 8-9.5) -0.23 -0.21 -9.94 3 4 0 68 193.25 5

Activity (Go SEA)

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