UCSF

ZINC36722272

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 13 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) 1.33 2.58 -4.78 2 3 0 44 181.235 4

Activity (Go SEA)

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