UCSF

ZINC35693419

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 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) 1.08 3.93 -46.82 4 4 1 73 274.319 5
Hi High (pH 8-9.5) 1.08 2.8 -10.52 3 4 0 68 273.311 5

Activity (Go SEA)

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