UCSF

ZINC16731745

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 35 No

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) 3.48 11.11 -69.31 1 8 0 100 484.524 11
Hi High (pH 8-9.5) 3.48 8.83 -54.68 0 8 -1 99 483.516 11
Mid Mid (pH 6-8) 3.93 9.94 -62.69 2 8 1 98 485.532 10
Mid Mid (pH 6-8) 2.90 10.95 -62.32 1 8 1 94 485.532 11

Activity (Go SEA)

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