UCSF

ZINC36781593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 3.23 3.86 -10.49 3 4 0 61 286.375 5
Hi High (pH 8-9.5) 3.23 4.61 -47.27 2 4 -1 64 285.367 5
Hi High (pH 8-9.5) 3.23 5.6 -40.28 3 4 0 69 286.375 5

Activity (Go SEA)

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