UCSF

ZINC36326197

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 20 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) 0.06 2.27 -52.19 3 5 1 59 279.36 4
Hi High (pH 8-9.5) 0.06 1.52 -6.38 2 5 0 57 278.352 4
Lo Low (pH 4.5-6) 0.06 4.08 -140.67 4 5 2 60 280.368 4

Activity (Go SEA)

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