UCSF

ZINC12212842

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 31 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) 5.82 2.19 -7.45 0 4 0 31 435.589 6

Activity (Go SEA)

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