UCSF

ZINC37840577

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) 0.72 1.85 -13.51 1 5 0 70 242.3 4
Hi High (pH 8-9.5) 1.17 -0.22 -45.78 0 5 -1 73 241.292 4

Activity (Go SEA)

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