UCSF

ZINC12152396

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2008 34 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) 4.59 12.42 -109.58 3 6 2 50 466.67 8

Activity (Go SEA)

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