UCSF

ZINC16944735

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 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) 3.81 10.69 -23.09 1 6 0 81 392.436 4
Hi High (pH 8-9.5) 3.88 9.78 -56.01 0 6 -1 88 391.428 4

Activity (Go SEA)

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