UCSF

ZINC12379162

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 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) 2.93 -0.67 -11.84 1 4 0 47 305.381 6

Activity (Go SEA)

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