UCSF

ZINC36354815

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 32 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) 3.48 7.05 -14.14 1 8 0 98 446.898 5
Ref Reference (pH 7) 3.30 9.8 -13.17 1 8 0 95 446.898 5

Activity (Go SEA)

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