UCSF

ZINC36360201

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 28 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) 2.17 4.75 -15.26 1 7 0 76 399.472 5
Ref Reference (pH 7) 1.98 7.26 -14.12 1 7 0 73 399.472 5

Activity (Go SEA)

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