UCSF

ZINC12617741

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) 1.36 7.34 -9.2 2 4 0 58 310.397 6

Activity (Go SEA)

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