UCSF

ZINC36359617

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 24 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) 2.42 3.4 -11.75 1 6 0 67 345.424 3
Ref Reference (pH 7) 2.23 5.9 -10.42 1 6 0 64 345.424 3

Activity (Go SEA)

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