UCSF

ZINC16753596

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 37 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) 3.65 11.86 -76.22 1 8 0 93 500.551 8
Hi High (pH 8-9.5) 3.65 9.32 -60.38 0 8 -1 91 499.543 8
Mid Mid (pH 6-8) 4.09 10.74 -61 2 8 1 90 501.559 7
Mid Mid (pH 6-8) 3.06 11.76 -64.61 1 8 1 87 501.559 8

Activity (Go SEA)

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