UCSF

ZINC36159995

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 2.95 8.46 -56.38 3 6 1 80 406.572 11
Hi High (pH 8-9.5) 3.41 5.64 -50.38 2 6 0 83 405.564 11

Activity (Go SEA)

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