UCSF

ZINC10970482

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2007 28 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) 3.98 -4.21 -14.18 1 5 0 54 397.544 5

Activity (Go SEA)

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