UCSF

ZINC36127761

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 13 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) -0.33 1.44 -100.45 5 4 2 61 189.303 7
Hi High (pH 8-9.5) -0.33 -0.62 -45.18 4 4 1 60 188.295 7

Activity (Go SEA)

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