UCSF

ZINC40267096

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 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) 2.72 8.58 -17.35 1 9 0 103 417.473 4
Ref Reference (pH 7) 2.53 11.21 -15.85 1 9 0 99 417.473 4

Activity (Go SEA)

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