UCSF

ZINC36876937

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.21 5.37 -47.26 4 3 1 56 284.305 4
Hi High (pH 8-9.5) 1.21 5.12 -6.8 3 3 0 55 283.297 4
Lo Low (pH 4.5-6) 1.21 6.34 -122.58 5 3 2 58 285.313 4

Activity (Go SEA)

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