UCSF

ZINC40864112

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 33 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) -4.53 -2.2 -60.24 8 13 1 199 468.535 9
Hi High (pH 8-9.5) -4.53 -2.6 -27.6 7 13 0 197 467.527 9

Activity (Go SEA)

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