UCSF

ZINC12238113

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2008 29 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) 4.12 1.92 -31.59 2 4 1 43 398.498 7

Activity (Go SEA)

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