UCSF

ZINC26532815

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 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) 2.78 6.05 -63.08 1 8 -1 102 497.543 9
Mid Mid (pH 6-8) 2.78 8.38 -77.33 2 8 0 104 498.551 9
Lo Low (pH 4.5-6) 2.78 7.56 -57.27 3 8 1 101 499.559 9

Activity (Go SEA)

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