UCSF

ZINC45629249

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 5.08 11.09 -33.76 2 1 1 17 304.504 6
Hi High (pH 8-9.5) 5.08 9.96 -2.59 1 1 0 12 303.496 6

Activity (Go SEA)

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