UCSF

ZINC36358122

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 31 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) 3.78 6.59 -16.33 1 8 0 95 439.903 4
Ref Reference (pH 7) 3.59 9.29 -16.72 1 8 0 91 439.903 4

Activity (Go SEA)

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