UCSF

ZINC65734349

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2011 29 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) 2.96 8.64 -65.55 4 7 1 102 423.917 11
Hi High (pH 8-9.5) 2.96 8.25 -15.38 3 7 0 100 422.909 11

Activity (Go SEA)

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