UCSF

ZINC36328269

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 18 Yes

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) 3.97 5.54 -49.97 3 2 1 31 332.331 4
Hi High (pH 8-9.5) 3.97 5.26 -2.08 2 2 0 29 331.323 4
Lo Low (pH 4.5-6) 3.97 7.39 -129.83 4 2 2 32 333.339 4

Activity (Go SEA)

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