UCSF

ZINC35752977

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 29 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) 3.70 6.45 -17.72 3 8 0 105 411.487 6
Hi High (pH 8-9.5) 3.88 4.57 -47.25 2 8 -1 112 410.479 6

Activity (Go SEA)

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