UCSF

ZINC36737454

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 21 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) 2.04 -0.49 -13.49 5 6 0 105 288.303 4
Hi High (pH 8-9.5) 2.04 0.51 -60.39 4 6 -1 108 287.295 4

Activity (Go SEA)

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