UCSF

ZINC44727330

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 21 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 10.59 -45.86 1 3 1 22 304.845 3
Hi High (pH 8-9.5) 3.48 8.25 -7.75 0 3 0 21 303.837 3
Lo Low (pH 4.5-6) 3.48 11.14 -82.28 2 3 2 24 305.853 3

Activity (Go SEA)

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