UCSF

ZINC36924102

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 14 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) -0.05 1.67 -40.6 3 4 1 55 199.274 7
Hi High (pH 8-9.5) -0.05 0.51 -9.19 2 4 0 50 198.266 7
Hi High (pH 8-9.5) 0.13 -0.8 -33.97 2 4 0 61 198.266 7

Activity (Go SEA)

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