UCSF

ZINC49545744

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 29 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) 2.73 4.1 -23.62 1 8 0 114 446.535 4
Ref Reference (pH 7) 1.80 5.37 -27.58 1 8 0 111 446.535 5

Activity (Go SEA)

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