UCSF

ZINC45782284

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 23 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) 2.48 3.66 -14.93 4 5 0 84 319.311 4

Activity (Go SEA)

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