UCSF

ZINC14953438

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 33 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) 2.19 8.83 -315.09 0 11 -4 180 488.237 4
Mid Mid (pH 6-8) 2.19 7.69 -202.67 1 11 -3 178 489.245 4
Lo Low (pH 4.5-6) 2.19 6.54 -99.19 2 11 -2 175 490.253 4

Activity (Go SEA)

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