UCSF

ZINC18187944

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 12 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) 0.93 1.9 -9.27 1 4 0 59 183.236 3
Ref Reference (pH 7) 1.38 0.56 -40.67 0 4 -1 62 182.228 3

Activity (Go SEA)

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