UCSF

ZINC12956989

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 17 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) 3.66 9.15 -36.06 2 1 1 17 224.327 2

Vendor Notes

Note Type Comments Provided By
MP 50 TCI

Activity (Go SEA)

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