UCSF

ZINC16806144

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 36 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) 3.07 9.25 -17.75 1 8 0 98 488.54 10
Mid Mid (pH 6-8) 2.49 9.9 -25.68 0 8 0 95 488.54 10
Lo Low (pH 4.5-6) 3.52 9.21 -64.11 2 8 1 99 489.548 9
Lo Low (pH 4.5-6) 2.49 10.18 -67.68 1 8 1 96 489.548 10

Activity (Go SEA)

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