UCSF

ZINC49551875

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 27 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) 2.29 2.1 -14.79 2 7 0 89 388.445 6
Ref Reference (pH 7) 2.10 4.69 -15.86 2 7 0 86 388.445 6

Activity (Go SEA)

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