UCSF

ZINC36788730

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 2.73 6.95 -118.66 4 2 2 32 258.356 6
Hi High (pH 8-9.5) 2.73 6.92 -31.14 3 2 1 30 257.348 6
Mid Mid (pH 6-8) 2.73 5.05 -43 3 2 1 31 257.348 6

Activity (Go SEA)

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