UCSF

ZINC35179715

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 14 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) -1.03 -0.23 -53.23 2 5 1 71 221.302 3
Hi High (pH 8-9.5) -1.03 -1.68 -15.88 1 5 0 66 220.294 3

Activity (Go SEA)

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