UCSF

ZINC36793261

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 0.84 2.23 -17.33 2 6 0 86 295.364 4
Hi High (pH 8-9.5) 1.30 0.29 -46.91 1 6 -1 89 294.356 4

Activity (Go SEA)

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