UCSF

ZINC21534902

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 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) 1.68 8.15 -21.28 0 9 0 97 416.441 3

Activity (Go SEA)

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