UCSF

ZINC36235965

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 17 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) 1.23 1.21 -47.5 4 5 1 75 237.279 3
Hi High (pH 8-9.5) 1.23 -0.25 -9.75 3 5 0 71 236.271 3
Hi High (pH 8-9.5) 1.23 0.76 -55.45 2 5 -1 73 235.263 3

Activity (Go SEA)

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